methyl 3-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3,4-dimethoxy-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(N-mesyl-3,4-dimethoxy-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H24N2O7S MolecularWeight: 436.47876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C20H24N2O7S/c1-13-6-7-14(20(24)29-4)10-16(13)21-19(23)12-22(30(5,25)26)15-8-9-17(27-2)18(11-15)28-3/h6-11H,12H2,1-5H3,(H,21,23)