1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-pentan-3-yl-piperidine-4-carboxamide

Systemtic Name: 1-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)-N-pentan-3-yl-piperidine-4-carboxamide Openeye Name: N-(1-ethylpropyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)piperidine-4-carboxamide CAS Name: 1-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]-N-pentan-3-yl-4-piperidinecarboxamide IUPAC Name: 1-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)-N-pentan-3-ylpiperidine-4-carboxamide Traditional Name: N-(1-ethylpropyl)-1-(4-morpholinosulfonyl-2-nitro-phenyl)isonipecotamide Formula: C21H32N4O6S MolecularWeight: 468.56698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)C1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O6S/c1-3-17(4-2)22-21(26)16-7-9-23(10-8-16)19-6-5-18(15-20(19)25(27)28)32(29,30)24-11-13-31-14-12-24/h5-6,15-17H,3-4,7-14H2,1-2H3,(H,22,26)