5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-oxo-5-[4-(p-tolylsulfonylamino)anilino]pentanoic acid CAS Name: 5-[4-[(4-methylphenyl)sulfonylamino]anilino]-5-oxopentanoic acid IUPAC Name: 5-[4-[(4-methylphenyl)sulfonylamino]anilino]-5-oxopentanoic acid Traditional Name: 5-keto-5-[4-(tosylamino)anilino]valeric acid Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-13-5-11-16(12-6-13)26(24,25)20-15-9-7-14(8-10-15)19-17(21)3-2-4-18(22)23/h5-12,20H,2-4H2,1H3,(H,19,21)(H,22,23)