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

Systemtic Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxidanylidene-pentyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxo-pentyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxopentyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-1-(3-bromophenyl)-2-methyl-3-oxopentyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-1-(3-bromophenyl)-3-keto-2-methyl-pentyl]-2-nitro-benzenesulfonamide Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN2O5S/c1-3-16(22)12(2)18(13-7-6-8-14(19)11-13)20-27(25,26)17-10-5-4-9-15(17)21(23)24/h4-12,18,20H,3H2,1-2H3/t12-,18+/m0/s1