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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)C)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)C)S(=O)(=O)C

InChI

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