[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCCC3

InChI

InChI=1S/C20H29N3O5S/c1-15-13-17(5-6-18(15)22-9-3-4-10-22)21-19(24)14-28-20(25)16-7-11-23(12-8-16)29(2,26)27/h5-6,13,16H,3-4,7-12,14H2,1-2H3,(H,21,24)