1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[1-(3,4-dimethylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[1-(3,4-dimethylphenyl)sulfonylisonipecotoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O)C

InChI

InChI=1S/C24H28N2O5S/c1-16-8-9-19(15-17(16)2)32(30,31)25-13-10-18(11-14-25)23(27)26-12-4-6-20-21(24(28)29)5-3-7-22(20)26/h3,5,7-9,15,18H,4,6,10-14H2,1-2H3,(H,28,29)