2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-[4-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide Traditional Name: N-(4-pyrrolidinophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)acetamide Formula: C23H31N4O3S+ MolecularWeight: 443.58224

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O3S/c1-19-4-10-22(11-5-19)31(29,30)27-16-14-25(15-17-27)18-23(28)24-20-6-8-21(9-7-20)26-12-2-3-13-26/h4-11H,2-3,12-18H2,1H3,(H,24,28)/p+1