N-butyl-N-ethyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-butyl-N-ethyl-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-butyl-N-ethyl-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-butyl-N-ethyl-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-butyl-N-ethyl-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-butyl-N-ethyl-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H24N2O3S2 MolecularWeight: 356.50336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C

InChI

InChI=1S/C16H24N2O3S2/c1-4-6-9-18(5-2)23(20,21)13-7-8-15-14(11-13)17-16(19)10-12(3)22-15/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,17,19)