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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O6S/c1-16(2)5-8-22-21(26)17-6-9-23(10-7-17)19-4-3-18(15-20(19)25(27)28)32(29,30)24-11-13-31-14-12-24/h3-4,15-17H,5-14H2,1-2H3,(H,22,26)