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

Systemtic Name: 4-[2-[4-(phenylmethyl)piperidin-1-yl]ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine Openeye Name: 4-[2-(4-benzyl-1-piperidyl)ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine CAS Name: 4-[2-[4-(phenylmethyl)-1-piperidinyl]ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine Traditional Name: 4-[2-(4-benzylpiperidino)ethylsulfonyl]-3,5-dihydro-2H-1,4-benzothiazepine Formula: C23H30N2O2S2 MolecularWeight: 430.6265

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCS(=O)(=O)N3CCSC4=CC=CC=C4C3

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCS(=O)(=O)N3CCSC4=CC=CC=C4C3

InChI

InChI=1S/C23H30N2O2S2/c26-29(27,25-14-16-28-23-9-5-4-8-22(23)19-25)17-15-24-12-10-21(11-13-24)18-20-6-2-1-3-7-20/h1-9,21H,10-19H2