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

Systemtic Name: 1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-(2-methyl-5-pyrrolidinosulfonyl-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C22H24N2O5S/c1-15-9-10-16(30(28,29)23-11-2-3-12-23)14-19(15)21(25)24-13-5-7-17-18(22(26)27)6-4-8-20(17)24/h4,6,8-10,14H,2-3,5,7,11-13H2,1H3,(H,26,27)