2-azanyl-4-methyl-N-(1-nitro-1-oxidanyl-1-phenylsulfanyl-hexan-2-yl)pentanamide

Systemtic Name: 2-azanyl-4-methyl-N-(1-nitro-1-oxidanyl-1-phenylsulfanyl-hexan-2-yl)pentanamide Openeye Name: 2-amino-N-[1-(hydroxy-nitro-phenylsulfanyl-methyl)pentyl]-4-methyl-pentanamide CAS Name: 2-amino-N-[1-hydroxy-1-nitro-1-(phenylthio)hexan-2-yl]-4-methylpentanamide IUPAC Name: 2-amino-N-(1-hydroxy-1-nitro-1-phenylsulfanylhexan-2-yl)-4-methylpentanamide Traditional Name: 2-amino-N-[1-[hydroxy-nitro-(phenylthio)methyl]pentyl]-4-methyl-valeramide Formula: C18H29N3O4S MolecularWeight: 383.50556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C([N+](=O)[O-])(O)SC1=CC=CC=C1)NC(=O)C(CC(C)C)N

Isomeric SMILES

CCCCC(C([N+](=O)[O-])(O)SC1=CC=CC=C1)NC(=O)C(CC(C)C)N

InChI

InChI=1S/C18H29N3O4S/c1-4-5-11-16(20-17(22)15(19)12-13(2)3)18(23,21(24)25)26-14-9-7-6-8-10-14/h6-10,13,15-16,23H,4-5,11-12,19H2,1-3H3,(H,20,22)