methyl 2-(3-phenyl-2-piperidin-1-ylcarbonyl-6-pyridin-3-yl-phenyl)ethanoate; phenylmethanesulfonic acid

Systemtic Name: methyl 2-(3-phenyl-2-piperidin-1-ylcarbonyl-6-pyridin-3-yl-phenyl)ethanoate; phenylmethanesulfonic acid Openeye Name: methyl 2-[3-phenyl-2-(piperidine-1-carbonyl)-6-(3-pyridyl)phenyl]acetate; phenylmethanesulfonic acid CAS Name: 2-[2-[oxo(1-piperidinyl)methyl]-3-phenyl-6-(3-pyridinyl)phenyl]acetic acid methyl ester; phenylmethanesulfonic acid IUPAC Name: methyl 2-[3-phenyl-2-(piperidine-1-carbonyl)-6-pyridin-3-ylphenyl]acetate; phenylmethanesulfonic acid Traditional Name: phenylmethanesulfonic acid; 2-[3-phenyl-2-(piperidine-1-carbonyl)-6-(3-pyridyl)phenyl]acetic acid methyl ester Formula: C33H34N2O6S MolecularWeight: 586.69786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C=CC(=C1C(=O)N2CCCCC2)C3=CC=CC=C3)C4=CN=CC=C4.C1=CC=C(C=C1)CS(=O)(=O)O

Isomeric SMILES

COC(=O)CC1=C(C=CC(=C1C(=O)N2CCCCC2)C3=CC=CC=C3)C4=CN=CC=C4.C1=CC=C(C=C1)CS(=O)(=O)O

InChI

InChI=1S/C26H26N2O3.C7H8O3S/c1-31-24(29)17-23-21(20-11-8-14-27-18-20)12-13-22(19-9-4-2-5-10-19)25(23)26(30)28-15-6-3-7-16-28;8-11(9,10)6-7-4-2-1-3-5-7/h2,4-5,8-14,18H,3,6-7,15-17H2,1H3;1-5H,6H2,(H,8,9,10)