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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)COC(=O)CNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-])Cl

InChI

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