2-chloranyl-N-(4-fluorophenyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: 2-chloranyl-N-(4-fluorophenyl)-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: 2-chloro-N-(4-fluorophenyl)-5-[4-(2-thienylmethyl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: 2-chloro-N-(4-fluorophenyl)-5-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 2-chloro-N-(4-fluorophenyl)-5-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 2-chloro-N-(4-fluorophenyl)-5-[4-(2-thenyl)piperazine-1-carbonyl]benzenesulfonamide Formula: C22H21ClFN3O3S2 MolecularWeight: 494.001843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN3O3S2/c23-20-8-3-16(14-21(20)32(29,30)25-18-6-4-17(24)5-7-18)22(28)27-11-9-26(10-12-27)15-19-2-1-13-31-19/h1-8,13-14,25H,9-12,15H2