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

Systemtic Name: ethyl 3-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-(4-ethoxy-N-methylsulfonyl-anilino)acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-ethoxy-N-methylsulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(4-ethoxy-N-mesyl-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-5-28-17-12-10-16(11-13-17)23(30(4,26)27)14-20(24)22-19-9-7-8-18(15(19)3)21(25)29-6-2/h7-13H,5-6,14H2,1-4H3,(H,22,24)