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

Systemtic Name: 4-methyl-N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxidanylidene-butyl]benzenesulfonamide Openeye Name: 4-methyl-N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxo-butyl]benzenesulfonamide CAS Name: 4-methyl-N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxobutyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[(1R,2R)-2-methyl-1-(4-nitrophenyl)-3-oxobutyl]benzenesulfonamide Traditional Name: N-[(1R,2R)-3-keto-2-methyl-1-(4-nitrophenyl)butyl]-4-methyl-benzenesulfonamide Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)[N+](=O)[O-])C(C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C2=CC=C(C=C2)[N+](=O)[O-])[C@@H](C)C(=O)C

InChI

InChI=1S/C18H20N2O5S/c1-12-4-10-17(11-5-12)26(24,25)19-18(13(2)14(3)21)15-6-8-16(9-7-15)20(22)23/h4-11,13,18-19H,1-3H3/t13-,18+/m0/s1