[1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [1-(4-carbamoylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC(C)C(=O)NC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C22H25N3O6S/c1-14-5-11-18(12-6-14)32(29,30)25-13-3-4-19(25)22(28)31-15(2)21(27)24-17-9-7-16(8-10-17)20(23)26/h5-12,15,19H,3-4,13H2,1-2H3,(H2,23,26)(H,24,27)