[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(2-methylanilino)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-(o-toluidino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H24N2O5S/c1-15-9-11-17(12-10-15)29(26,27)23-13-5-8-19(23)21(25)28-14-20(24)22-18-7-4-3-6-16(18)2/h3-4,6-7,9-12,19H,5,8,13-14H2,1-2H3,(H,22,24)