ethyl 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylate Openeye Name: ethyl 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-piperidine-4-carboxylate CAS Name: 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-ethyl-4-[4-[3-(3-phenylphenyl)propoxy]phenyl]sulfonyl-isonipecotic acid ethyl ester Formula: C31H37NO5S MolecularWeight: 535.69418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC=CC(=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1CCC(CC1)(C(=O)OCC)S(=O)(=O)C2=CC=C(C=C2)OCCCC3=CC=CC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H37NO5S/c1-3-32-21-19-31(20-22-32,30(33)36-4-2)38(34,35)29-17-15-28(16-18-29)37-23-9-11-25-10-8-14-27(24-25)26-12-6-5-7-13-26/h5-8,10,12-18,24H,3-4,9,11,19-23H2,1-2H3