N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=CCCCC3

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCC3=CCCCC3

InChI

InChI=1S/C18H24N2O3S2/c1-13-11-18(21)20-16-12-15(7-8-17(16)24-13)25(22,23)19-10-9-14-5-3-2-4-6-14/h5,7-8,12-13,19H,2-4,6,9-11H2,1H3,(H,20,21)