N-[(2R)-1-(4-methoxyphenyl)-3-oxidanylidene-butan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R)-1-(4-methoxyphenyl)-3-oxidanylidene-butan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R)-1-[(4-methoxyphenyl)methyl]-2-oxo-propyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R)-1-(4-methoxyphenyl)-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R)-1-(4-methoxyphenyl)-3-oxobutan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R)-2-keto-1-p-anisyl-propyl]-2-nitro-benzenesulfonamide Formula: C17H18N2O6S MolecularWeight: 378.39962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=C(C=C1)OC)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O6S/c1-12(20)15(11-13-7-9-14(25-2)10-8-13)18-26(23,24)17-6-4-3-5-16(17)19(21)22/h3-10,15,18H,11H2,1-2H3/t15-/m1/s1