8-ethyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]quinoline-3-carboxylic acid

Systemtic Name: 8-ethyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]quinoline-3-carboxylic acid Openeye Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-ethyl-quinoline-3-carboxylic acid CAS Name: 8-ethyl-4-[(4-methoxyphenyl)sulfonyl-(phenylmethyl)amino]-3-quinolinecarboxylic acid IUPAC Name: 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-8-ethylquinoline-3-carboxylic acid Traditional Name: 4-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-8-ethyl-quinoline-3-carboxylic acid Formula: C26H24N2O5S MolecularWeight: 476.54416

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C(C(=CN=C21)C(=O)O)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=CC2=C(C(=CN=C21)C(=O)O)N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H24N2O5S/c1-3-19-10-7-11-22-24(19)27-16-23(26(29)30)25(22)28(17-18-8-5-4-6-9-18)34(31,32)21-14-12-20(33-2)13-15-21/h4-16H,3,17H2,1-2H3,(H,29,30)