2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3S2/c25-21(17-23-11-6-16-28-20-10-5-4-9-19(20)23)22-12-14-24(15-13-22)29(26,27)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2