2-azanyl-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-8-thiophen-2-yl-quinoline-3-carboxylic acid

Systemtic Name: 2-azanyl-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-8-thiophen-2-yl-quinoline-3-carboxylic acid Openeye Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)-8-(2-thienyl)quinoline-3-carboxylic acid CAS Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridinylmethyl)-8-thiophen-2-yl-3-quinolinecarboxylic acid IUPAC Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)-8-thiophen-2-ylquinoline-3-carboxylic acid Traditional Name: 2-amino-5-(4-methoxyphenyl)sulfonyl-4-(3-pyridylmethyl)-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)C2=C3C(=C(C(=NC3=C(C=C2)C4=CC=CS4)N)C(=O)O)CC5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C(=NC3=C(C=C2)C4=CC=CS4)N)C(=O)O)CC5=CN=CC=C5

InChI

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