4-[[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfonylphenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfonylphenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfonylanilino]-4-oxo-butanoic acid CAS Name: 4-[4-[4-(2,5-dimethyl-1-pyrrolyl)phenyl]sulfonylanilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfonylanilino]-4-oxobutanoic acid Traditional Name: 4-[4-[4-(2,5-dimethylpyrrol-1-yl)phenyl]sulfonylanilino]-4-keto-butyric acid Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)O)C

Isomeric SMILES

CC1=CC=C(N1C2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CCC(=O)O)C

InChI

InChI=1S/C22H22N2O5S/c1-15-3-4-16(2)24(15)18-7-11-20(12-8-18)30(28,29)19-9-5-17(6-10-19)23-21(25)13-14-22(26)27/h3-12H,13-14H2,1-2H3,(H,23,25)(H,26,27)