6-(4-methylpiperidin-1-yl)sulfonyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 6-[(4-methyl-1-piperidyl)sulfonyl]-2-phenyl-quinoline-4-carboxylate CAS Name: 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-phenyl-4-quinolinecarboxylate IUPAC Name: 6-(4-methylpiperidin-1-yl)sulfonyl-2-phenylquinoline-4-carboxylate Traditional Name: 6-(4-methylpiperidino)sulfonyl-2-phenyl-cinchoninate Formula: C22H21N2O4S- MolecularWeight: 409.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(C=C3C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H22N2O4S/c1-15-9-11-24(12-10-15)29(27,28)17-7-8-20-18(13-17)19(22(25)26)14-21(23-20)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,25,26)/p-1