2-[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]ethyl methanesulfonate Openeye Name: 2-[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl]ethyl ester IUPAC Name: 2-[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propyl-benzimidazol-1-yl]ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CCOS(=O)(=O)C)C3=NC4=CC=CC=C4N3C)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CCOS(=O)(=O)C)C3=NC4=CC=CC=C4N3C)C

InChI

InChI=1S/C22H26N4O3S/c1-5-8-20-24-21-15(2)13-16(14-19(21)26(20)11-12-29-30(4,27)28)22-23-17-9-6-7-10-18(17)25(22)3/h6-7,9-10,13-14H,5,8,11-12H2,1-4H3