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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-[4-(4-methoxyphenyl)sulfonylpiperazino]ethanone Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H27N3O4S2/c1-29-18-7-9-19(10-8-18)31(27,28)25-14-12-23(13-15-25)22(26)17-24-11-4-16-30-21-6-3-2-5-20(21)24/h2-3,5-10H,4,11-17H2,1H3