ethyl 3-chloranyl-4-[2-[(3,4-dichlorophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[(3,4-dichlorophenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-(3,4-dichloro-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-(3,4-dichloro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-(3,4-dichloro-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-(3,4-dichloro-N-mesyl-anilino)acetyl]amino]benzoic acid ethyl ester Formula: C18H17Cl3N2O5S MolecularWeight: 479.76198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H17Cl3N2O5S/c1-3-28-18(25)11-4-7-16(15(21)8-11)22-17(24)10-23(29(2,26)27)12-5-6-13(19)14(20)9-12/h4-9H,3,10H2,1-2H3,(H,22,24)