N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-3-(p-tolylsulfamoyl)benzamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-4-methoxy-3-(p-tolylsulfamoyl)benzamide Formula: C24H34N3O4S+ MolecularWeight: 460.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NCCC[NH+]3CCCCCC3)OC

InChI

InChI=1S/C24H33N3O4S/c1-19-8-11-21(12-9-19)26-32(29,30)23-18-20(10-13-22(23)31-2)24(28)25-14-7-17-27-15-5-3-4-6-16-27/h8-13,18,26H,3-7,14-17H2,1-2H3,(H,25,28)/p+1