ethyl 1-[2-(2,2-diphenylethanoylamino)-4-methylsulfonyl-phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(2,2-diphenylethanoylamino)-4-methylsulfonyl-phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(2,2-diphenylacetyl)amino]-4-methylsulfonyl-phenyl]piperidine-4-carboxylate CAS Name: 1-[4-methylsulfonyl-2-[(1-oxo-2,2-diphenylethyl)amino]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(2,2-diphenylacetyl)amino]-4-methylsulfonylphenyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(2,2-diphenylacetyl)amino]-4-mesyl-phenyl]isonipecotic acid ethyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H32N2O5S/c1-3-36-29(33)23-16-18-31(19-17-23)26-15-14-24(37(2,34)35)20-25(26)30-28(32)27(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-15,20,23,27H,3,16-19H2,1-2H3,(H,30,32)