N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C21H26N4O7S MolecularWeight: 478.51874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O7S/c1-31-19-12-16(18(25(27)28)13-20(19)32-2)5-9-23-21(26)15-6-10-24(11-7-15)33(29,30)17-4-3-8-22-14-17/h3-4,8,12-15H,5-7,9-11H2,1-2H3,(H,23,26)