1-[2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-bromophenyl)methyl-(phenylsulfonyl)amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[benzenesulfonyl-[(4-bromophenyl)methyl]amino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[besyl-(4-bromobenzyl)amino]acetyl]isonipecotamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O4S/c22-18-8-6-16(7-9-18)14-25(30(28,29)19-4-2-1-3-5-19)15-20(26)24-12-10-17(11-13-24)21(23)27/h1-9,17H,10-15H2,(H2,23,27)