4-chloranyl-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C18H19ClN4O6S2 MolecularWeight: 486.94966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H19ClN4O6S2/c19-16-10-9-15(12-17(16)23(24)25)31(28,29)21-13-5-7-14(8-6-13)30(26,27)22-18-4-2-1-3-11-20-18/h5-10,12,21H,1-4,11H2,(H,20,22)