3-chloranyl-4-methyl-5-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-[4-(propylsulfamoyl)phenyl]benzenesulfonamide Formula: C16H18ClN3O6S2 MolecularWeight: 447.91362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN3O6S2/c1-3-8-18-27(23,24)13-6-4-12(5-7-13)19-28(25,26)14-9-15(17)11(2)16(10-14)20(21)22/h4-7,9-10,18-19H,3,8H2,1-2H3