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

Systemtic Name: 2-methyl-4-oxidanylidene-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-propyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C13H18N2O3S2 MolecularWeight: 314.42362

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C

Isomeric SMILES

CCCNS(=O)(=O)C1=CC2=C(C=C1)SC(CC(=O)N2)C

InChI

InChI=1S/C13H18N2O3S2/c1-3-6-14-20(17,18)10-4-5-12-11(8-10)15-13(16)7-9(2)19-12/h4-5,8-9,14H,3,6-7H2,1-2H3,(H,15,16)