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

Systemtic Name: methyl 3-[2-[(4-fluorophenyl)sulfonyl-methyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-fluorophenyl)sulfonyl-methylamino]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-fluorophenyl)sulfonyl-methyl-amino]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H19FN2O5S MolecularWeight: 394.417263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O5S/c1-12-4-5-13(18(23)26-3)10-16(12)20-17(22)11-21(2)27(24,25)15-8-6-14(19)7-9-15/h4-10H,11H2,1-3H3,(H,20,22)