[1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-[(3-fluoranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-1-methyl-2-oxo-ethyl] 3-(2-naphthylsulfonylamino)propanoate CAS Name: 3-(2-naphthalenylsulfonylamino)propanoic acid [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 3-(naphthalen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-naphthylsulfonylamino)propionic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C23H23FN2O5S MolecularWeight: 458.502523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2)F

InChI

InChI=1S/C23H23FN2O5S/c1-15-7-9-19(14-21(15)24)26-23(28)16(2)31-22(27)11-12-25-32(29,30)20-10-8-17-5-3-4-6-18(17)13-20/h3-10,13-14,16,25H,11-12H2,1-2H3,(H,26,28)