[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H23FN2O5S MolecularWeight: 434.481123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O5S/c1-15-4-10-18(11-5-15)30(27,28)24-12-2-3-19(24)21(26)29-14-20(25)23-13-16-6-8-17(22)9-7-16/h4-11,19H,2-3,12-14H2,1H3,(H,23,25)