[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-[cyclopropyl-(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H20FNO5S MolecularWeight: 405.439903

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N(CC2=CC=CC=C2F)C3CC3

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)OCC(=O)N(CC2=CC=CC=C2F)C3CC3

InChI

InChI=1S/C20H20FNO5S/c1-28(25,26)18-9-5-3-7-16(18)20(24)27-13-19(23)22(15-10-11-15)12-14-6-2-4-8-17(14)21/h2-9,15H,10-13H2,1H3