4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-phenyl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-phenyl-quinoline-3-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-8-phenyl-quinoline-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-8-phenyl-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-phenylquinoline-3-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-8-phenyl-quinoline-3-carboxylic acid Formula: C29H23N3O5S MolecularWeight: 525.57502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C4C=CC=C(C4=NC=C3C(=O)O)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC2=CN=CC=C2)C3=C4C=CC=C(C4=NC=C3C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O5S/c1-37-22-12-14-23(15-13-22)38(35,36)32(19-20-7-6-16-30-17-20)28-25-11-5-10-24(21-8-3-2-4-9-21)27(25)31-18-26(28)29(33)34/h2-18H,19H2,1H3,(H,33,34)