3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]but-2-enamide

Systemtic Name: 3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]but-2-enamide Openeye Name: 3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]but-2-enamide CAS Name: 3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-2-butenamide IUPAC Name: 3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]but-2-enamide Traditional Name: 3-methyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]but-2-enamide Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCCCC2)C

Isomeric SMILES

CC(=CC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=[NH+]CCCCC2)C

InChI

InChI=1S/C17H23N3O3S/c1-13(2)11-17(21)19-14-7-6-8-15(12-14)24(22,23)20-16-9-4-3-5-10-18-16/h6-8,11-12H,3-5,9-10H2,1-2H3,(H,18,20)(H,19,21)/p+1