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

Systemtic Name: ethyl 3-[2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-6-30-21(25)15-8-7-14(2)17(11-15)22-20(24)13-23(31(5,26)27)16-9-10-18(28-3)19(12-16)29-4/h7-12H,6,13H2,1-5H3,(H,22,24)