methyl 2-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H25ClN2O7S MolecularWeight: 484.9504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O7S/c1-12-7-8-14(22)9-17(12)24(32(6,27)28)13(2)20(25)23-16-11-19(30-4)18(29-3)10-15(16)21(26)31-5/h7-11,13H,1-6H3,(H,23,25)