4-(5-bromanylthiophen-2-yl)sulfonyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazine-1-carboxamide

Systemtic Name: 4-(5-bromanylthiophen-2-yl)sulfonyl-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-[(5-bromo-2-thienyl)sulfonyl]-N-[(3-fluoro-4-methyl-phenyl)methyl]piperazine-1-carboxamide CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonyl]-N-[(3-fluoro-4-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: 4-(5-bromothiophen-2-yl)sulfonyl-N-[(3-fluoro-4-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-[(5-bromo-2-thienyl)sulfonyl]-N-(3-fluoro-4-methyl-benzyl)piperazine-1-carboxamide Formula: C17H19BrFN3O3S2 MolecularWeight: 476.383463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Br)F

InChI

InChI=1S/C17H19BrFN3O3S2/c1-12-2-3-13(10-14(12)19)11-20-17(23)21-6-8-22(9-7-21)27(24,25)16-5-4-15(18)26-16/h2-5,10H,6-9,11H2,1H3,(H,20,23)