N-(4-bromophenyl)-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-bromophenyl)-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-bromophenyl)-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-(4-bromophenyl)-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-bromophenyl)-1-mesyl-isonipecotamide Formula: C13H17BrN2O3S MolecularWeight: 361.25468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C13H17BrN2O3S/c1-20(18,19)16-8-6-10(7-9-16)13(17)15-12-4-2-11(14)3-5-12/h2-5,10H,6-9H2,1H3,(H,15,17)