ethyl 4-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[(5-keto-1-tosyl-prolyl)amino]benzoic acid ethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(=O)N2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(=O)N2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H22N2O6S/c1-3-29-21(26)15-6-8-16(9-7-15)22-20(25)18-12-13-19(24)23(18)30(27,28)17-10-4-14(2)5-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,25)