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

Systemtic Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxidanylidene-butyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxo-butyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxobutyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxobutyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-3-keto-2-methyl-butyl]-2-nitro-benzenesulfonamide Formula: C17H16Cl2N2O5S MolecularWeight: 431.29034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N2O5S/c1-10(11(2)22)17(12-7-8-13(18)14(19)9-12)20-27(25,26)16-6-4-3-5-15(16)21(23)24/h3-10,17,20H,1-2H3/t10-,17+/m0/s1