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

Systemtic Name: 2-chloranyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide CAS Name: 2-chloro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]nicotinamide Formula: C18H20ClN4O3S+ MolecularWeight: 407.8944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O3S/c19-17-15(8-5-11-21-17)18(24)22-13-6-4-7-14(12-13)27(25,26)23-16-9-2-1-3-10-20-16/h4-8,11-12H,1-3,9-10H2,(H,20,23)(H,22,24)/p+1