4-[methyl-[4-(4-methylquinolin-2-yl)phenyl]sulfonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-[4-(4-methylquinolin-2-yl)phenyl]sulfonyl-amino]butanoic acid Openeye Name: 4-[methyl-[4-(4-methyl-2-quinolyl)phenyl]sulfonyl-amino]butanoic acid CAS Name: 4-[methyl-[4-(4-methyl-2-quinolinyl)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[methyl-[4-(4-methylquinolin-2-yl)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-[methyl-[4-(4-methyl-2-quinolyl)phenyl]sulfonyl-amino]butyric acid Formula: C21H22N2O4S MolecularWeight: 398.47538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)C3=CC=C(C=C3)S(=O)(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)C3=CC=C(C=C3)S(=O)(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C21H22N2O4S/c1-15-14-20(22-19-7-4-3-6-18(15)19)16-9-11-17(12-10-16)28(26,27)23(2)13-5-8-21(24)25/h3-4,6-7,9-12,14H,5,8,13H2,1-2H3,(H,24,25)