4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-thiophen-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-thiophen-2-yl-quinoline-3-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-8-(2-thienyl)quinoline-3-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]-8-thiophen-2-yl-3-quinolinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-8-thiophen-2-ylquinoline-3-carboxylic acid Traditional Name: 4-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]-8-(2-thienyl)quinoline-3-carboxylic acid Formula: C27H21N3O5S2 MolecularWeight: 531.60274

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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=CS5

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=CS5

InChI

InChI=1S/C27H21N3O5S2/c1-35-19-9-11-20(12-10-19)37(33,34)30(17-18-5-3-13-28-15-18)26-22-7-2-6-21(24-8-4-14-36-24)25(22)29-16-23(26)27(31)32/h2-16H,17H2,1H3,(H,31,32)