[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O5S/c1-3-17-6-4-7-18(14-17)23-21(25)15-29-22(26)20-8-5-13-24(20)30(27,28)19-11-9-16(2)10-12-19/h4,6-7,9-12,14,20H,3,5,8,13,15H2,1-2H3,(H,23,25)