N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-(2-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(2-nitrophenyl)sulfonyl-N-p-anisyl-isonipecotamide Formula: C20H23N3O6S MolecularWeight: 433.47812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S/c1-29-17-8-6-15(7-9-17)14-21-20(24)16-10-12-22(13-11-16)30(27,28)19-5-3-2-4-18(19)23(25)26/h2-9,16H,10-14H2,1H3,(H,21,24)