methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-(4-fluorobenzyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H21FN2O4S MolecularWeight: 392.444443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O4S/c1-26-19(23)17-4-2-3-5-18(17)27(24,25)22-12-10-21(11-13-22)14-15-6-8-16(20)9-7-15/h2-9H,10-14H2,1H3