(phenylmethyl) 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-oxidanyl-propyl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]-2-oxidanyl-propyl]piperidine-1-carboxylate Openeye Name: benzyl 4-[2-hydroxy-2-[1-(p-tolylsulfonyl)indol-3-yl]propyl]piperidine-1-carboxylate CAS Name: 4-[2-hydroxy-2-[1-(4-methylphenyl)sulfonyl-3-indolyl]propyl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-hydroxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]propyl]piperidine-1-carboxylate Traditional Name: 4-[2-hydroxy-2-(1-tosylindol-3-yl)propyl]piperidine-1-carboxylic acid benzyl ester Formula: C31H34N2O5S MolecularWeight: 546.67706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)(CC4CCN(CC4)C(=O)OCC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(C)(CC4CCN(CC4)C(=O)OCC5=CC=CC=C5)O

InChI

InChI=1S/C31H34N2O5S/c1-23-12-14-26(15-13-23)39(36,37)33-21-28(27-10-6-7-11-29(27)33)31(2,35)20-24-16-18-32(19-17-24)30(34)38-22-25-8-4-3-5-9-25/h3-15,21,24,35H,16-20,22H2,1-2H3