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

Systemtic Name: 2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide CAS Name: 2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 2-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=[NH+]CCCCC3

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=[NH+]CCCCC3

InChI

InChI=1S/C20H23N3O3S/c1-15-7-4-5-8-18(15)20(24)22-16-10-12-17(13-11-16)27(25,26)23-19-9-3-2-6-14-21-19/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3,(H,21,23)(H,22,24)/p+1