1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5,6-bis(fluoranyl)benzimidazole

Systemtic Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5,6-bis(fluoranyl)benzimidazole Openeye Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5,6-difluoro-benzimidazole CAS Name: 1-[[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]methyl]-5,6-difluorobenzimidazole IUPAC Name: 1-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5,6-difluorobenzimidazole Traditional Name: 5,6-difluoro-1-[(4-p-phenetylsulfonylpiperazino)methyl]benzimidazole Formula: C20H22F2N4O3S MolecularWeight: 436.475486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=NC4=CC(=C(C=C43)F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CN3C=NC4=CC(=C(C=C43)F)F

InChI

InChI=1S/C20H22F2N4O3S/c1-2-29-15-3-5-16(6-4-15)30(27,28)26-9-7-24(8-10-26)14-25-13-23-19-11-17(21)18(22)12-20(19)25/h3-6,11-13H,2,7-10,14H2,1H3