phenylmethanesulfonic acid; (phenylmethyl) 2-[1-(2-phenylphenyl)carbonylpiperidin-4-yl]ethanoate

Systemtic Name: phenylmethanesulfonic acid; (phenylmethyl) 2-[1-(2-phenylphenyl)carbonylpiperidin-4-yl]ethanoate Openeye Name: benzyl 2-[1-(2-phenylbenzoyl)-4-piperidyl]acetate; phenylmethanesulfonic acid CAS Name: 2-[1-[oxo-(2-phenylphenyl)methyl]-4-piperidinyl]acetic acid (phenylmethyl) ester; phenylmethanesulfonic acid IUPAC Name: benzyl 2-[1-(2-phenylbenzoyl)piperidin-4-yl]acetate; phenylmethanesulfonic acid Traditional Name: 2-[1-(2-phenylbenzoyl)-4-piperidyl]acetic acid benzyl ester; phenylmethanesulfonic acid Formula: C34H35NO6S MolecularWeight: 585.7098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC(=O)OCC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4.C1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

C1CN(CCC1CC(=O)OCC2=CC=CC=C2)C(=O)C3=CC=CC=C3C4=CC=CC=C4.C1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C27H27NO3.C7H8O3S/c29-26(31-20-22-9-3-1-4-10-22)19-21-15-17-28(18-16-21)27(30)25-14-8-7-13-24(25)23-11-5-2-6-12-23;8-11(9,10)6-7-4-2-1-3-5-7/h1-14,21H,15-20H2;1-5H,6H2,(H,8,9,10)