(2R)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C22H29N4O3S2+ MolecularWeight: 461.62066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H28N4O3S2/c1-24-13-15-26(16-14-24)31(28,29)19-9-10-20(23-17-19)30-21(18-7-3-2-4-8-18)22(27)25-11-5-6-12-25/h2-4,7-10,17,21H,5-6,11-16H2,1H3/p+1/t21-/m1/s1