(phenylmethyl) N-[6-methyl-1-nitro-2-oxidanylidene-3-(pentylsulfamoyl)heptan-4-yl]carbamate

Systemtic Name: (phenylmethyl) N-[6-methyl-1-nitro-2-oxidanylidene-3-(pentylsulfamoyl)heptan-4-yl]carbamate Openeye Name: benzyl N-[1-isobutyl-4-nitro-3-oxo-2-(pentylsulfamoyl)butyl]carbamate CAS Name: N-[6-methyl-1-nitro-2-oxo-3-(pentylsulfamoyl)heptan-4-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-methyl-1-nitro-2-oxo-3-(pentylsulfamoyl)heptan-4-yl]carbamate Traditional Name: N-[2-(amylsulfamoyl)-1-isobutyl-3-keto-4-nitro-butyl]carbamic acid benzyl ester Formula: C21H33N3O7S MolecularWeight: 471.56762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNS(=O)(=O)C(C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)C[N+](=O)[O-]

Isomeric SMILES

CCCCCNS(=O)(=O)C(C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)C[N+](=O)[O-]

InChI

InChI=1S/C21H33N3O7S/c1-4-5-9-12-22-32(29,30)20(19(25)14-24(27)28)18(13-16(2)3)23-21(26)31-15-17-10-7-6-8-11-17/h6-8,10-11,16,18,20,22H,4-5,9,12-15H2,1-3H3,(H,23,26)