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

Systemtic Name: [4-[3-ethoxy-3-oxidanylidene-2-[[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]carbonylamino]propyl]phenyl] 1-methylpiperidine-4-carboxylate Openeye Name: [4-[2-[(1-benzylsulfonylpyrrolidine-2-carbonyl)amino]-3-ethoxy-3-oxo-propyl]phenyl] 1-methylpiperidine-4-carboxylate CAS Name: 1-methyl-4-piperidinecarboxylic acid [4-[3-ethoxy-3-oxo-2-[[oxo-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]methyl]amino]propyl]phenyl] ester IUPAC Name: [4-[2-[(1-benzylsulfonylpyrrolidine-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]phenyl] 1-methylpiperidine-4-carboxylate Traditional Name: 1-methylisonipecotic acid [4-[2-[(1-benzylsulfonylprolyl)amino]-3-ethoxy-3-keto-propyl]phenyl] ester Formula: C30H39N3O7S MolecularWeight: 585.71156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C)NC(=O)C3CCCN3S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2CCN(CC2)C)NC(=O)C3CCCN3S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C30H39N3O7S/c1-3-39-30(36)26(20-22-11-13-25(14-12-22)40-29(35)24-15-18-32(2)19-16-24)31-28(34)27-10-7-17-33(27)41(37,38)21-23-8-5-4-6-9-23/h4-6,8-9,11-14,24,26-27H,3,7,10,15-21H2,1-2H3,(H,31,34)