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

Systemtic Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-methylsulfonyl-benzamide Openeye Name: 3-methylsulfonyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide CAS Name: N-[2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]ethyl]-3-methylsulfonylbenzamide IUPAC Name: N-[2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]ethyl]-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[2-[4-(m-tolyl)piperazin-1-ium-1-yl]ethyl]benzamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-17-5-3-7-19(15-17)24-13-11-23(12-14-24)10-9-22-21(25)18-6-4-8-20(16-18)28(2,26)27/h3-8,15-16H,9-14H2,1-2H3,(H,22,25)/p+1