2-[3-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[(1-ethanoyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanoylamino]benzoic acid Openeye Name: 2-[3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanoylamino]benzoic acid Traditional Name: 2-[3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]propanoylamino]benzoic acid Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H22N2O6S/c1-14(24)23-11-4-5-15-13-16(8-9-19(15)23)30(28,29)12-10-20(25)22-18-7-3-2-6-17(18)21(26)27/h2-3,6-9,13H,4-5,10-12H2,1H3,(H,22,25)(H,26,27)