(2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (2-chloro-7-methyl-3-quinolyl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (2-chloro-7-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-3-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (2-chloro-7-methyl-3-quinolyl)methyl ester Formula: C20H18ClN3O6S2 MolecularWeight: 495.95642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNS(=O)(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O6S2/c1-12-3-4-13-8-14(20(21)23-16(13)7-12)11-30-19(25)10-22-32(28,29)15-5-6-18(31-2)17(9-15)24(26)27/h3-9,22H,10-11H2,1-2H3