[4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] piperidine-4-carboxylate

Systemtic Name: [4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] piperidine-4-carboxylate Openeye Name: [4-[3-ethoxy-3-oxo-2-[[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]propyl]phenyl] piperidine-4-carboxylate CAS Name: 4-piperidinecarboxylic acid [4-[3-ethoxy-2-[[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[3-ethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl] piperidine-4-carboxylate Traditional Name: isonipecotic acid [4-[3-ethoxy-3-keto-2-[(1-tosylprolyl)amino]propyl]phenyl] ester Formula: C29H37N3O7S MolecularWeight: 571.68498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCNCC2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCNCC2)NC(=O)C3CCCN3S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H37N3O7S/c1-3-38-29(35)25(19-21-8-10-23(11-9-21)39-28(34)22-14-16-30-17-15-22)31-27(33)26-5-4-18-32(26)40(36,37)24-12-6-20(2)7-13-24/h6-13,22,25-26,30H,3-5,14-19H2,1-2H3,(H,31,33)