[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-(methylthio)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-(methylthio)phenyl]-pyrrolidino-methanone Formula: C18H28N3O3S2+ MolecularWeight: 398.56322

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC)C(=O)N3CCCC3

InChI

InChI=1S/C18H27N3O3S2/c1-3-19-10-12-21(13-11-19)26(23,24)15-6-7-17(25-2)16(14-15)18(22)20-8-4-5-9-20/h6-7,14H,3-5,8-13H2,1-2H3/p+1