4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(p-tolylmethyl)piperazine-1-carboxamide CAS Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(3-chloro-4-fluorophenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(4-methylbenzyl)piperazine-1-carboxamide Formula: C19H21ClFN3O3S MolecularWeight: 425.904743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O3S/c1-14-2-4-15(5-3-14)13-22-19(25)23-8-10-24(11-9-23)28(26,27)16-6-7-18(21)17(20)12-16/h2-7,12H,8-11,13H2,1H3,(H,22,25)