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

Systemtic Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanyl-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-(methylthio)phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-methylsulfanylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-(methylthio)phenyl]-pyrrolidino-methanone Formula: C17H26N3O3S2+ MolecularWeight: 384.53664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-18-9-11-20(12-10-18)25(22,23)14-5-6-16(24-2)15(13-14)17(21)19-7-3-4-8-19/h5-6,13H,3-4,7-12H2,1-2H3/p+1