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

Systemtic Name: (E)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]prop-2-enamide Openeye Name: (E)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]prop-2-enamide CAS Name: (E)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]-2-propenamide IUPAC Name: (E)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]prop-2-enamide Traditional Name: (E)-3-phenyl-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]acrylamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c25-21(14-13-17-8-3-1-4-9-17)23-18-10-7-11-19(16-18)28(26,27)24-20-12-5-2-6-15-22-20/h1,3-4,7-11,13-14,16H,2,5-6,12,15H2,(H,22,24)(H,23,25)/p+1/b14-13+