(2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2S)-2-phenyl-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: (2S)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2S)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2S)-2-phenyl-1-pyrrolidino-2-(4-tosylpiperazin-1-ium-1-yl)ethanone Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-19-9-11-21(12-10-19)30(28,29)26-17-15-24(16-18-26)22(20-7-3-2-4-8-20)23(27)25-13-5-6-14-25/h2-4,7-12,22H,5-6,13-18H2,1H3/p+1/t22-/m0/s1