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

Systemtic Name: 5-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(p-tolylsulfonyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-tosyl-3,4-dihydro-2H-1,5-benzothiazepine Formula: C16H17NO2S2 MolecularWeight: 319.44168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C16H17NO2S2/c1-13-7-9-14(10-8-13)21(18,19)17-11-4-12-20-16-6-3-2-5-15(16)17/h2-3,5-10H,4,11-12H2,1H3