N-[(4-nitrophenyl)methylsulfonyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-nitrophenyl)methylsulfonyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-nitrophenyl)methylsulfonyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(4-nitrophenyl)methylsulfonyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[(4-nitrophenyl)methylsulfonyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-(4-nitrobenzyl)sulfonyl-1-(3-pyridylsulfonyl)isonipecotamide Formula: C18H20N4O7S2 MolecularWeight: 468.504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NS(=O)(=O)CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H20N4O7S2/c23-18(20-30(26,27)13-14-3-5-16(6-4-14)22(24)25)15-7-10-21(11-8-15)31(28,29)17-2-1-9-19-12-17/h1-6,9,12,15H,7-8,10-11,13H2,(H,20,23)