(S)-1-(3-(((4-amino-2,2-dioxido-1H-benzo[c][1,2,6]thiadiazin-5-yl)oxy)methyl)piperidin-1-yl)-3-methylbutan-1-one

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IUPAC Name :1-[(3S)-3-{[(4-amino-2,2-dioxido-1H-2,1,3-benzothiadiazin-5-yl)oxy]methyl}-1-piperidinyl]-3-methyl-1-butanone
InChI :InChI=1/C18H26N4O4S/c1-12(2)9-16(23)22-8-4-5-13(10-22)11-26-15-7-3-6-14-17(15)18(19)21-27(24,25)20-14/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H2,19,21)/t13-/m0/s1
Std.InChI: InChI=1S/C18H26N4O4S/c1-12(2)9-16(23)22-8-4-5-13(10-22)11-26-15-7-3-6-14-17(15)18(19)21-27(24,25)20-14/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3,(H2,19,21)/t13-/m0/s1
InChIKey :WATMWKUPIIWAGO-ZDUSSCGKBG
Std.InChIKey: WATMWKUPIIWAGO-ZDUSSCGKSA-N
SMILES :CC(C)CC(=O)N1CCC[C@@H](C1)COc2cccc3c2C(=NS(=O)(=O)N3)N
Molar Refractivity :101.45 ± 0.5 cm3 (est)
Parachor :756.6 ± 8.0 cm3 (est)
Index of Refraction :1.656 ± 0.05 (est)
Surface Tension :56.4 ± 7.0 dyne/cm (est)
Density :1.42 ± 0.1 g/cm3 (est)
Polarizability :40.22 ± 0.5 10-24cm3 (est)