4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-4-keto-butyric acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C18H20N2O5S/c1-12-4-3-5-13(2)18(12)20-26(24,25)15-8-6-14(7-9-15)19-16(21)10-11-17(22)23/h3-9,20H,10-11H2,1-2H3,(H,19,21)(H,22,23)