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

Systemtic Name: 4-phenoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-phenoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide CAS Name: 4-phenoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-phenoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-phenoxy-N-[3-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1CCC(=[NH+]CC1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c29-25(19-13-15-22(16-14-19)32-21-9-3-1-4-10-21)27-20-8-7-11-23(18-20)33(30,31)28-24-12-5-2-6-17-26-24/h1,3-4,7-11,13-16,18H,2,5-6,12,17H2,(H,26,28)(H,27,29)/p+1