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

Systemtic Name: N-[(1R,2R)-2-methyl-1-(5-nitrothiophen-2-yl)-3-oxidanylidene-butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-methyl-1-(5-nitro-2-thienyl)-3-oxo-butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-methyl-1-(5-nitro-2-thiophenyl)-3-oxobutyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-methyl-1-(5-nitrothiophen-2-yl)-3-oxobutyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-keto-2-methyl-1-(5-nitro-2-thienyl)butyl]-2-nitro-benzenesulfonamide Formula: C15H15N3O7S2 MolecularWeight: 413.4255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O7S2/c1-9(10(2)19)15(12-7-8-14(26-12)18(22)23)16-27(24,25)13-6-4-3-5-11(13)17(20)21/h3-9,15-16H,1-2H3/t9-,15+/m0/s1