(4-methylphenyl) 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butanoate

Systemtic Name: (4-methylphenyl) 4-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)amino]butanoate Openeye Name: p-tolyl 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate CAS Name: 4-oxo-4-[4-(1-pyrrolidinylsulfonyl)anilino]butanoic acid (4-methylphenyl) ester IUPAC Name: (4-methylphenyl) 4-oxo-4-(4-pyrrolidin-1-ylsulfonylanilino)butanoate Traditional Name: 4-keto-4-(4-pyrrolidinosulfonylanilino)butyric acid p-tolyl ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H24N2O5S/c1-16-4-8-18(9-5-16)28-21(25)13-12-20(24)22-17-6-10-19(11-7-17)29(26,27)23-14-2-3-15-23/h4-11H,2-3,12-15H2,1H3,(H,22,24)