7-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-(4-tosyl-1,4-diazepane-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C22H25N3O4S2/c1-16-3-6-18(7-4-16)31(28,29)25-11-2-10-24(12-13-25)22(27)17-5-8-20-19(15-17)23-21(26)9-14-30-20/h3-8,15H,2,9-14H2,1H3,(H,23,26)