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

Systemtic Name: 4-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide CAS Name: 4-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide IUPAC Name: 4-methyl-N-[4-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-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=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=[NH+]CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=[NH+]CCCCC3

InChI

InChI=1S/C20H23N3O3S/c1-15-6-8-16(9-7-15)20(24)22-17-10-12-18(13-11-17)27(25,26)23-19-5-3-2-4-14-21-19/h6-13H,2-5,14H2,1H3,(H,21,23)(H,22,24)/p+1