2-methylpropyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: 2-methylpropyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: isobutyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(4-fluorophenyl)piperazino]sulfonylbenzoic acid isobutyl ester Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c1-16(2)15-28-21(25)17-4-3-5-20(14-17)29(26,27)24-12-10-23(11-13-24)19-8-6-18(22)7-9-19/h3-9,14,16H,10-13,15H2,1-2H3