6-piperidin-1-ylsulfonyl-2-propan-2-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-piperidin-1-ylsulfonyl-2-propan-2-yl-quinoline-4-carboxylic acid Openeye Name: 2-isopropyl-6-(1-piperidylsulfonyl)quinoline-4-carboxylic acid CAS Name: 6-(1-piperidinylsulfonyl)-2-propan-2-yl-4-quinolinecarboxylic acid IUPAC Name: 6-piperidin-1-ylsulfonyl-2-propan-2-ylquinoline-4-carboxylic acid Traditional Name: 2-isopropyl-6-piperidinosulfonyl-cinchoninic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=C1)C(=O)O

Isomeric SMILES

CC(C)C1=NC2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)C(=C1)C(=O)O

InChI

InChI=1S/C18H22N2O4S/c1-12(2)17-11-15(18(21)22)14-10-13(6-7-16(14)19-17)25(23,24)20-8-4-3-5-9-20/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,22)