methyl 4-chloranyl-3-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-[4-[dimethylamino(oxo)methyl]-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-[4-(dimethylcarbamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid methyl ester Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H22ClN3O6S/c1-23(2)19(26)13-5-8-15(9-6-13)24(31(4,28)29)12-18(25)22-17-11-14(20(27)30-3)7-10-16(17)21/h5-11H,12H2,1-4H3,(H,22,25)