4-chloranyl-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide CAS Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Formula: C19H20ClN4O5S+ MolecularWeight: 451.9039

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O5S/c20-16-10-5-13(12-17(16)24(26)27)19(25)22-14-6-8-15(9-7-14)30(28,29)23-18-4-2-1-3-11-21-18/h5-10,12H,1-4,11H2,(H,21,23)(H,22,25)/p+1