N-[2-[(4-nitrophenyl)amino]ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-nitroanilino)ethyl]-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-nitroanilino)ethyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O5S/c27-22(24-14-13-23-20-6-8-21(9-7-20)26(28)29)19-10-15-25(16-11-19)32(30,31)17-12-18-4-2-1-3-5-18/h1-9,12,17,19,23H,10-11,13-16H2,(H,24,27)/b17-12+