2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-yl-phenyl)ethanamide Openeye Name: N-(3-methyl-4-pyrrolidin-1-yl-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[3-methyl-4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-methyl-4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: N-(3-methyl-4-pyrrolidino-phenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C24H33N4O3S+ MolecularWeight: 457.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)N4CCCC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)N4CCCC4)C

InChI

InChI=1S/C24H32N4O3S/c1-19-5-8-22(9-6-19)32(30,31)28-15-13-26(14-16-28)18-24(29)25-21-7-10-23(20(2)17-21)27-11-3-4-12-27/h5-10,17H,3-4,11-16,18H2,1-2H3,(H,25,29)/p+1