1-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[4-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxobutyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-[(4-fluorophenyl)sulfonyl-methyl-amino]butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)N1CCCC2=C(C=CC=C21)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CN(CCCC(=O)N1CCCC2=C(C=CC=C21)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-23(30(28,29)16-11-9-15(22)10-12-16)13-4-8-20(25)24-14-3-6-17-18(21(26)27)5-2-7-19(17)24/h2,5,7,9-12H,3-4,6,8,13-14H2,1H3,(H,26,27)