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

Systemtic Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxidanylidene-pentyl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxo-pentyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxopentyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-2-methyl-3-oxopentyl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-1-(3,4-dichlorophenyl)-3-keto-2-methyl-pentyl]-2-nitro-benzenesulfonamide Formula: C18H18Cl2N2O5S MolecularWeight: 445.31692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N2O5S/c1-3-16(23)11(2)18(12-8-9-13(19)14(20)10-12)21-28(26,27)17-7-5-4-6-15(17)22(24)25/h4-11,18,21H,3H2,1-2H3/t11-,18+/m0/s1