1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(2-methyl-5-piperidinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C23H26N2O5S/c1-16-10-11-17(31(29,30)24-12-3-2-4-13-24)15-20(16)22(26)25-14-6-8-18-19(23(27)28)7-5-9-21(18)25/h5,7,9-11,15H,2-4,6,8,12-14H2,1H3,(H,27,28)