methyl 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2-chloro-4-fluoro-benzyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C19H20ClFN2O4S MolecularWeight: 426.889503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClFN2O4S/c1-27-19(24)14-3-2-4-17(11-14)28(25,26)23-9-7-22(8-10-23)13-15-5-6-16(21)12-18(15)20/h2-6,11-12H,7-10,13H2,1H3