ethyl 4-[2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)-thiophen-2-ylsulfonyl-amino]ethanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]-3-methyl-benzoate CAS Name: 4-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-1-oxoethyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)acetyl]amino]-3-methylbenzoate Traditional Name: 4-[[2-[4-fluoro-N-(2-thienylsulfonyl)anilino]acetyl]amino]-3-methyl-benzoic acid ethyl ester Formula: C22H21FN2O5S2 MolecularWeight: 476.540943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H21FN2O5S2/c1-3-30-22(27)16-6-11-19(15(2)13-16)24-20(26)14-25(18-9-7-17(23)8-10-18)32(28,29)21-5-4-12-31-21/h4-13H,3,14H2,1-2H3,(H,24,26)