3-chloranyl-4-nitro-benzenesulfonamide; 3-(4-chlorophenyl)sulfanyl-4-nitro-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-nitro-benzenesulfonamide; 3-(4-chlorophenyl)sulfanyl-4-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-nitro-benzenesulfonamide; 3-(4-chlorophenyl)sulfanyl-4-nitro-benzenesulfonamide CAS Name: 3-chloro-4-nitrobenzenesulfonamide; 3-[(4-chlorophenyl)thio]-4-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-nitrobenzenesulfonamide; 3-(4-chlorophenyl)sulfanyl-4-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-nitro-benzenesulfonamide; 3-[(4-chlorophenyl)thio]-4-nitro-benzenesulfonamide Formula: C18H14Cl2N4O8S3 MolecularWeight: 581.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC2=C(C=CC(=C2)S(=O)(=O)N)[N+](=O)[O-])Cl.C1=CC(=C(C=C1S(=O)(=O)N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1SC2=C(C=CC(=C2)S(=O)(=O)N)[N+](=O)[O-])Cl.C1=CC(=C(C=C1S(=O)(=O)N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H9ClN2O4S2.C6H5ClN2O4S/c13-8-1-3-9(4-2-8)20-12-7-10(21(14,18)19)5-6-11(12)15(16)17;7-5-3-4(14(8,12)13)1-2-6(5)9(10)11/h1-7H,(H2,14,18,19);1-3H,(H2,8,12,13)