[1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [1-[(4-fluorophenyl)amino]-1-oxidanylidene-butan-2-yl] 2-methylsulfonylbenzoate Openeye Name: 1-[(4-fluorophenyl)carbamoyl]propyl 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [1-(4-fluoroanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-fluoroanilino)-1-oxobutan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid 1-[(4-fluorophenyl)carbamoyl]propyl ester Formula: C18H18FNO5S MolecularWeight: 379.402623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)F)OC(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C18H18FNO5S/c1-3-15(17(21)20-13-10-8-12(19)9-11-13)25-18(22)14-6-4-5-7-16(14)26(2,23)24/h4-11,15H,3H2,1-2H3,(H,20,21)