7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzothiazepine

Systemtic Name: 7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzothiazepine Openeye Name: 7-methoxy-4-(p-tolylsulfonyl)-3,5-dihydro-2H-1,4-benzothiazepine CAS Name: 7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: 7-methoxy-4-(4-methylphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzothiazepine Traditional Name: 7-methoxy-4-tosyl-3,5-dihydro-2H-1,4-benzothiazepine Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCSC3=C(C2)C=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCSC3=C(C2)C=C(C=C3)OC

InChI

InChI=1S/C17H19NO3S2/c1-13-3-6-16(7-4-13)23(19,20)18-9-10-22-17-8-5-15(21-2)11-14(17)12-18/h3-8,11H,9-10,12H2,1-2H3