2-(2,5-dimethylthiophen-3-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(2,5-dimethylthiophen-3-yl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(2,5-dimethyl-3-thienyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(2,5-dimethyl-3-thiophenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,5-dimethylthiophen-3-yl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(2,5-dimethyl-3-thienyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C21H22N2O4S2 MolecularWeight: 430.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC3=C(C=C(C=C3)S(=O)(=O)N4CCCCC4)C(=C2)C(=O)O

InChI

InChI=1S/C21H22N2O4S2/c1-13-10-16(14(2)28-13)20-12-18(21(24)25)17-11-15(6-7-19(17)22-20)29(26,27)23-8-4-3-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,24,25)