3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-1-piperidin-1-yl-propan-1-one

Systemtic Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-1-piperidin-1-yl-propan-1-one Openeye Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-1-(1-piperidyl)propan-1-one CAS Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]-2-pyrrolyl]-1-(1-piperidinyl)-1-propanone IUPAC Name: 3-[5-(4-methoxyphenyl)-1-(4-methylsulfanylphenyl)pyrrol-2-yl]-1-piperidin-1-ylpropan-1-one Traditional Name: 3-[5-(4-methoxyphenyl)-1-[4-(methylthio)phenyl]pyrrol-2-yl]-1-piperidino-propan-1-one Formula: C26H30N2O2S MolecularWeight: 434.5936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)SC)CCC(=O)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(N2C3=CC=C(C=C3)SC)CCC(=O)N4CCCCC4

InChI

InChI=1S/C26H30N2O2S/c1-30-23-12-6-20(7-13-23)25-16-10-22(11-17-26(29)27-18-4-3-5-19-27)28(25)21-8-14-24(31-2)15-9-21/h6-10,12-16H,3-5,11,17-19H2,1-2H3