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

Systemtic Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one Openeye Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazol-2-one CAS Name: 1-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolone IUPAC Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylbenzimidazol-2-one Traditional Name: 1-methyl-3-[(4-p-phenetylsulfonylpiperazin-1-ium-1-yl)methyl]benzimidazol-2-one Formula: C21H27N4O4S+ MolecularWeight: 431.52848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C21H26N4O4S/c1-3-29-17-8-10-18(11-9-17)30(27,28)24-14-12-23(13-15-24)16-25-20-7-5-4-6-19(20)22(2)21(25)26/h4-11H,3,12-16H2,1-2H3/p+1