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

Systemtic Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxo-pentyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxopentyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxopentyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-keto-2-methyl-1-(4-nitrophenyl)pentyl]-2-nitro-benzenesulfonamide Formula: C18H19N3O7S MolecularWeight: 421.42436

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C18H19N3O7S/c1-3-16(22)12(2)18(13-8-10-14(11-9-13)20(23)24)19-29(27,28)17-7-5-4-6-15(17)21(25)26/h4-12,18-19H,3H2,1-2H3/t12-,18+/m0/s1