N-[(1R,2R)-2-methyl-1-(5-nitrothiophen-2-yl)-3-oxidanylidene-pentyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-methyl-1-(5-nitrothiophen-2-yl)-3-oxidanylidene-pentyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-methyl-1-(5-nitro-2-thienyl)-3-oxo-pentyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-methyl-1-(5-nitro-2-thiophenyl)-3-oxopentyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-methyl-1-(5-nitrothiophen-2-yl)-3-oxopentyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-keto-2-methyl-1-(5-nitro-2-thienyl)pentyl]-2-nitro-benzenesulfonamide Formula: C16H17N3O7S2 MolecularWeight: 427.45208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C)C(C1=CC=C(S1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)[C@H](C)[C@H](C1=CC=C(S1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O7S2/c1-3-12(20)10(2)16(13-8-9-15(27-13)19(23)24)17-28(25,26)14-7-5-4-6-11(14)18(21)22/h4-10,16-17H,3H2,1-2H3/t10-,16+/m0/s1