4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(4-methylphenyl)sulfonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-oxo-4-[4-(p-tolylsulfonylamino)anilino]butanoic acid CAS Name: 4-[4-[(4-methylphenyl)sulfonylamino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(4-methylphenyl)sulfonylamino]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(tosylamino)anilino]butyric acid Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O5S/c1-12-2-8-15(9-3-12)25(23,24)19-14-6-4-13(5-7-14)18-16(20)10-11-17(21)22/h2-9,19H,10-11H2,1H3,(H,18,20)(H,21,22)