7-methoxy-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methylamino]quinoline-3-carboxylic acid

Systemtic Name: 7-methoxy-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methylamino]quinoline-3-carboxylic acid Openeye Name: 7-methoxy-2-[[4-(p-tolylsulfonylamino)phenyl]methylamino]quinoline-3-carboxylic acid CAS Name: 7-methoxy-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methylamino]-3-quinolinecarboxylic acid IUPAC Name: 7-methoxy-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]methylamino]quinoline-3-carboxylic acid Traditional Name: 7-methoxy-2-[[4-(tosylamino)benzyl]amino]quinoline-3-carboxylic acid Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CNC3=C(C=C4C=CC(=CC4=N3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)CNC3=C(C=C4C=CC(=CC4=N3)OC)C(=O)O

InChI

InChI=1S/C25H23N3O5S/c1-16-3-11-21(12-4-16)34(31,32)28-19-8-5-17(6-9-19)15-26-24-22(25(29)30)13-18-7-10-20(33-2)14-23(18)27-24/h3-14,28H,15H2,1-2H3,(H,26,27)(H,29,30)