methyl 2-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-[(3-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[2-(3-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[2-(3-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[2-(3-ethoxy-N-methylsulfonylanilino)acetyl]amino]-4,5-dimethoxybenzoate Traditional Name: 2-[[2-(3-ethoxy-N-mesyl-anilino)acetyl]amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H26N2O8S MolecularWeight: 466.50474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C21H26N2O8S/c1-6-31-15-9-7-8-14(10-15)23(32(5,26)27)13-20(24)22-17-12-19(29-3)18(28-2)11-16(17)21(25)30-4/h7-12H,6,13H2,1-5H3,(H,22,24)