4-[[4-(4-aminophenyl)sulfonylphenyl]amino]-4-oxidanylidene-butanoic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 4-[[4-(4-aminophenyl)sulfonylphenyl]amino]-4-oxidanylidene-butanoic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxo-butanoic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxobutanoic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxobutanoic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 2-(2-hydroxyethylamino)ethanol; 4-keto-4-(4-sulfanilylanilino)butyric acid Formula: C20H27N3O7S MolecularWeight: 453.50928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O.C(CO)NCCO

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O.C(CO)NCCO

InChI

InChI=1S/C16H16N2O5S.C4H11NO2/c17-11-1-5-13(6-2-11)24(22,23)14-7-3-12(4-8-14)18-15(19)9-10-16(20)21;6-3-1-5-2-4-7/h1-8H,9-10,17H2,(H,18,19)(H,20,21);5-7H,1-4H2