N-[4-(4-chlorophenyl)sulfanyl-2-(methylsulfonylamino)-5-nitro-phenyl]methanesulfonamide

Systemtic Name: N-[4-(4-chlorophenyl)sulfanyl-2-(methylsulfonylamino)-5-nitro-phenyl]methanesulfonamide Openeye Name: N-[4-(4-chlorophenyl)sulfanyl-2-(methanesulfonamido)-5-nitro-phenyl]methanesulfonamide CAS Name: N-[4-[(4-chlorophenyl)thio]-2-(methanesulfonamido)-5-nitrophenyl]methanesulfonamide IUPAC Name: N-[4-(4-chlorophenyl)sulfanyl-2-(methanesulfonamido)-5-nitrophenyl]methanesulfonamide Traditional Name: N-[4-[(4-chlorophenyl)thio]-2-(methanesulfonamido)-5-nitro-phenyl]methanesulfonamide Formula: C14H14ClN3O6S3 MolecularWeight: 451.92546

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1NS(=O)(=O)C)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1NS(=O)(=O)C)SC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H14ClN3O6S3/c1-26(21,22)16-11-7-13(18(19)20)14(8-12(11)17-27(2,23)24)25-10-5-3-9(15)4-6-10/h3-8,16-17H,1-2H3