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

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)-(4-fluorophenyl)sulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonyl-anilino)acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-(4-ethoxy-N-(4-fluorophenyl)sulfonyl-anilino)acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C26H27FN2O6S MolecularWeight: 514.565783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)C)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=C(C=C2)C(=O)OCC)C)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H27FN2O6S/c1-4-34-22-11-9-21(10-12-22)29(36(32,33)23-13-7-20(27)8-14-23)17-25(30)28-24-15-6-19(16-18(24)3)26(31)35-5-2/h6-16H,4-5,17H2,1-3H3,(H,28,30)