1-[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidin-4-yl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[1-(5-tert-butyl-2-methyl-phenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-4-carbonyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[1-(5-tert-butyl-2-methyl-phenyl)sulfonylisonipecotoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5S/c1-18-10-11-20(27(2,3)4)17-24(18)35(33,34)28-15-12-19(13-16-28)25(30)29-14-6-8-21-22(26(31)32)7-5-9-23(21)29/h5,7,9-11,17,19H,6,8,12-16H2,1-4H3,(H,31,32)