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

Systemtic Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxidanylidene-butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxo-butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxobutyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxobutyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-1-(3-bromophenyl)-3-keto-2-methyl-butyl]-2-nitro-benzenesulfonamide Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O5S/c1-11(12(2)21)17(13-6-5-7-14(18)10-13)19-26(24,25)16-9-4-3-8-15(16)20(22)23/h3-11,17,19H,1-2H3/t11-,17+/m0/s1