11-[[(2S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine 5-oxide

Systemtic Name: 11-[[(2S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine 5-oxide Openeye Name: 11-[[(2S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine 5-oxide CAS Name: 11-[[(2S)-1-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidinyl]methyl]-6H-benzo[c][1,5]benzothiazepine 5-oxide IUPAC Name: 11-[[(2S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine 5-oxide Traditional Name: 11-[[(2S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzothiazepine 5-oxide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2CCCC2CN3C4=CC=CC=C4CS(=O)C5=CC=CC=C53

Isomeric SMILES

COC1=CC=C(C=C1)CCN2CCC[C@H]2CN3C4=CC=CC=C4CS(=O)C5=CC=CC=C53

InChI

InChI=1S/C27H30N2O2S/c1-31-24-14-12-21(13-15-24)16-18-28-17-6-8-23(28)19-29-25-9-3-2-7-22(25)20-32(30)27-11-5-4-10-26(27)29/h2-5,7,9-15,23H,6,8,16-20H2,1H3/t23-,32?/m0/s1