7-methoxy-4-[2-[4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine

Systemtic Name: 7-methoxy-4-[2-[4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine Openeye Name: 4-[2-(4-benzyl-1-piperidyl)ethylsulfonyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine CAS Name: 7-methoxy-4-[2-[4-(phenylmethyl)-1-piperidinyl]ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)ethylsulfonyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine Traditional Name: 4-[2-(4-benzylpiperidino)ethylsulfonyl]-7-methoxy-3,5-dihydro-2H-1,4-benzothiazepine Formula: C24H32N2O3S2 MolecularWeight: 460.65248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)S(=O)(=O)CCN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)S(=O)(=O)CCN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N2O3S2/c1-29-23-7-8-24-22(18-23)19-26(13-15-30-24)31(27,28)16-14-25-11-9-21(10-12-25)17-20-5-3-2-4-6-20/h2-8,18,21H,9-17,19H2,1H3