2-(3-chlorophenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid

Systemtic Name: 2-(3-chlorophenyl)-6-piperidin-1-ylsulfonyl-quinoline-4-carboxylic acid Openeye Name: 2-(3-chlorophenyl)-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 2-(3-chlorophenyl)-6-(1-piperidinylsulfonyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3-chlorophenyl)-6-piperidin-1-ylsulfonylquinoline-4-carboxylic acid Traditional Name: 2-(3-chlorophenyl)-6-piperidinosulfonyl-cinchoninic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H19ClN2O4S/c22-15-6-4-5-14(11-15)20-13-18(21(25)26)17-12-16(7-8-19(17)23-20)29(27,28)24-9-2-1-3-10-24/h4-8,11-13H,1-3,9-10H2,(H,25,26)