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

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide Openeye Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-4-(phenylsulfamoyl)benzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide Traditional Name: N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]-4-(phenylsulfamoyl)benzamide Formula: C26H31N4O3S+ MolecularWeight: 479.61434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCNC(=O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3S/c1-21-6-5-9-24(20-21)30-18-16-29(17-19-30)15-14-27-26(31)22-10-12-25(13-11-22)34(32,33)28-23-7-3-2-4-8-23/h2-13,20,28H,14-19H2,1H3,(H,27,31)/p+1