N-[4-(4-bromanylphenoxy)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(4-bromanylphenoxy)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(4-bromophenoxy)phenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-(4-bromophenoxy)phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(4-bromophenoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(4-bromophenoxy)phenyl]-1-mesyl-nipecotamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

Isomeric SMILES

CS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN2O4S/c1-27(24,25)22-12-2-3-14(13-22)19(23)21-16-6-10-18(11-7-16)26-17-8-4-15(20)5-9-17/h4-11,14H,2-3,12-13H2,1H3,(H,21,23)