methyl 2-[2-[(4-chlorophenyl)-methylsulfonyl-amino]butanoylamino]-4,5-dimethoxy-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1C(=O)OC)OC)OC)N(C2=CC=C(C=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H25ClN2O7S/c1-6-17(24(32(5,27)28)14-9-7-13(22)8-10-14)20(25)23-16-12-19(30-3)18(29-2)11-15(16)21(26)31-4/h7-12,17H,6H2,1-5H3,(H,23,25)