(2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone

Systemtic Name: (2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone Openeye Name: (2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)-[4-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [2-(methylthio)-3H-benzimidazol-1-ium-1-yl]-[4-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: (2-methylsulfanyl-3H-benzimidazol-1-ium-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: [2-(methylthio)-3H-benzimidazol-1-ium-1-yl]-(4-piperidinosulfonylphenyl)methanone Formula: C20H22N3O3S2+ MolecularWeight: 416.53698

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=[N+](C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CSC1=[N+](C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H21N3O3S2/c1-27-20-21-17-7-3-4-8-18(17)23(20)19(24)15-9-11-16(12-10-15)28(25,26)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-14H2,1H3/p+1