N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-(p-tolylsulfamoyl)benzamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide Traditional Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-(p-tolylsulfamoyl)benzamide Formula: C27H33N4O3S+ MolecularWeight: 493.64092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)NCC[NH+]3CCN(CC3)C4=CC=CC(=C4)C

InChI

InChI=1S/C27H32N4O3S/c1-21-6-10-24(11-7-21)29-35(33,34)26-12-8-23(9-13-26)27(32)28-14-15-30-16-18-31(19-17-30)25-5-3-4-22(2)20-25/h3-13,20,29H,14-19H2,1-2H3,(H,28,32)/p+1