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

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

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4)NC1=O

InChI

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