1-methyl-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one

Systemtic Name: 1-methyl-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one Openeye Name: 1-[[4-(4-isopropylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one CAS Name: 1-methyl-3-[[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-benzimidazolone IUPAC Name: 1-methyl-3-[[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazol-2-one Traditional Name: 1-methyl-3-[(4-p-cumenylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazol-2-one Formula: C22H29N4O3S+ MolecularWeight: 429.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C22H28N4O3S/c1-17(2)18-8-10-19(11-9-18)30(28,29)25-14-12-24(13-15-25)16-26-21-7-5-4-6-20(21)23(3)22(26)27/h4-11,17H,12-16H2,1-3H3/p+1