3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1H-benzimidazol-2-one Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazol-2-one CAS Name: 3-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1H-benzimidazol-2-one IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazol-2-one Traditional Name: 3-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1H-benzimidazol-2-one Formula: C19H23N4O3S+ MolecularWeight: 387.47592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3NC2=O)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C19H22N4O3S/c24-19-20-17-8-4-5-9-18(17)23(19)15-21-10-12-22(13-11-21)27(25,26)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,20,24)/p+1