N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxidanylidene-butyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxidanylidene-butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxo-butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxobutyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxobutyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-keto-2-methyl-1-(4-nitrophenyl)butyl]-2-nitro-benzenesulfonamide Formula: C17H17N3O7S MolecularWeight: 407.39778

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H17N3O7S/c1-11(12(2)21)17(13-7-9-14(10-8-13)19(22)23)18-28(26,27)16-6-4-3-5-15(16)20(24)25/h3-11,17-18H,1-2H3/t11-,17+/m0/s1