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

Systemtic Name: 3-methyl-N-[(4-methylphenyl)methyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 3-methyl-4-oxo-N-(p-tolylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 3-methyl-N-[(4-methylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-3-methyl-N-(4-methylbenzyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=C(C=C3)C)NC1=O

InChI

InChI=1S/C18H20N2O3S2/c1-12-3-5-14(6-4-12)10-19-25(22,23)15-7-8-17-16(9-15)20-18(21)13(2)11-24-17/h3-9,13,19H,10-11H2,1-2H3,(H,20,21)