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

Systemtic Name: 7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[3-methyl-4-(m-tolyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]sulfonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[3-methyl-4-(m-tolyl)piperazino]sulfonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1CN(CCN1C2=CC=CC(=C2)C)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H25N3O3S2/c1-15-4-3-5-17(12-15)24-10-9-23(14-16(24)2)29(26,27)18-6-7-20-19(13-18)22-21(25)8-11-28-20/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,22,25)