[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate

Systemtic Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylbenzoate Openeye Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-methylbenzoate CAS Name: 2-methylbenzoic acid [2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylbenzoate Traditional Name: 2-methylbenzoic acid [2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H21FN2O5S/c1-15-5-2-3-8-18(15)20(25)28-14-19(24)22-9-11-23(12-10-22)29(26,27)17-7-4-6-16(21)13-17/h2-8,13H,9-12,14H2,1H3