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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S2/c1-16-13-21(25)22-19-14-18(7-8-20(19)28-16)29(26,27)24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-8,14,16H,9-13,15H2,1H3,(H,22,25)