methyl 3-[2-[2,6-bis(chloranyl)phenyl]quinolin-6-yl]-2-[(2-chloranyl-4-methylsulfonyl-phenyl)carbonylamino]propanoate

Systemtic Name: methyl 3-[2-[2,6-bis(chloranyl)phenyl]quinolin-6-yl]-2-[(2-chloranyl-4-methylsulfonyl-phenyl)carbonylamino]propanoate Openeye Name: methyl 2-[(2-chloro-4-methylsulfonyl-benzoyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoate CAS Name: 2-[[(2-chloro-4-methylsulfonylphenyl)-oxomethyl]amino]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-methylsulfonylbenzoyl)amino]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoate Traditional Name: 2-[(2-chloro-4-mesyl-benzoyl)amino]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propionic acid methyl ester Formula: C27H21Cl3N2O5S MolecularWeight: 591.89004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC2=C(C=C1)N=C(C=C2)C3=C(C=CC=C3Cl)Cl)NC(=O)C4=C(C=C(C=C4)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)C(CC1=CC2=C(C=C1)N=C(C=C2)C3=C(C=CC=C3Cl)Cl)NC(=O)C4=C(C=C(C=C4)S(=O)(=O)C)Cl

InChI

InChI=1S/C27H21Cl3N2O5S/c1-37-27(34)24(32-26(33)18-9-8-17(14-21(18)30)38(2,35)36)13-15-6-10-22-16(12-15)7-11-23(31-22)25-19(28)4-3-5-20(25)29/h3-12,14,24H,13H2,1-2H3,(H,32,33)