4-(4-butoxyphenyl)sulfonyl-1,2-thiazepine-3-carboxamide

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1,2-thiazepine-3-carboxamide Openeye Name: 4-(4-butoxyphenyl)sulfonylthiazepine-3-carboxamide CAS Name: 4-(4-butoxyphenyl)sulfonyl-3-thiazepinecarboxamide IUPAC Name: 4-(4-butoxyphenyl)sulfonylthiazepine-3-carboxamide Traditional Name: 4-(4-butoxyphenyl)sulfonylthiazepine-3-carboxamide Formula: C16H18N2O4S2 MolecularWeight: 366.45512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=CSN=C2C(=O)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=CSN=C2C(=O)N

InChI

InChI=1S/C16H18N2O4S2/c1-2-3-10-22-12-6-8-13(9-7-12)24(20,21)14-5-4-11-23-18-15(14)16(17)19/h4-9,11H,2-3,10H2,1H3,(H2,17,19)