N-[2-[(4-nitrophenyl)amino]ethyl]-1-(phenylsulfonyl)piperidine-2-carboxamide

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-1-(phenylsulfonyl)piperidine-2-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-2-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[2-(4-nitroanilino)ethyl]-2-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[2-(4-nitroanilino)ethyl]piperidine-2-carboxamide Traditional Name: 1-besyl-N-[2-(4-nitroanilino)ethyl]pipecolinamide Formula: C20H24N4O5S MolecularWeight: 432.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N4O5S/c25-20(22-14-13-21-16-9-11-17(12-10-16)24(26)27)19-8-4-5-15-23(19)30(28,29)18-6-2-1-3-7-18/h1-3,6-7,9-12,19,21H,4-5,8,13-15H2,(H,22,25)