3-[[5-(propan-2-ylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[[5-(propan-2-ylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid Openeye Name: 3-[[5-(isopropylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid CAS Name: 3-[[5-[oxo-(propan-2-ylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[[5-(propan-2-ylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]thiophene-2-carboxylic acid Traditional Name: 3-[[5-(isopropylcarbamoyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-thenoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1=C2CCCN(C2=CC=C1)S(=O)(=O)C3=C(SC=C3)C(=O)O

Isomeric SMILES

CC(C)NC(=O)C1=C2CCCN(C2=CC=C1)S(=O)(=O)C3=C(SC=C3)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-11(2)19-17(21)13-5-3-7-14-12(13)6-4-9-20(14)27(24,25)15-8-10-26-16(15)18(22)23/h3,5,7-8,10-11H,4,6,9H2,1-2H3,(H,19,21)(H,22,23)