7-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 7-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazine-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)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

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