2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acetamide Formula: C19H23N4O4S2+ MolecularWeight: 435.54032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H22N4O4S2/c24-18(14-28-19-10-3-5-12-23(19)25)21-15-7-6-8-16(13-15)29(26,27)22-17-9-2-1-4-11-20-17/h3,5-8,10,12-13H,1-2,4,9,11,14H2,(H,20,22)(H,21,24)/p+1