2-[2-[(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)methyl]benzimidazol-1-yl]ethyl methanesulfonate

Systemtic Name: 2-[2-[(3-ethyl-2-oxidanylidene-benzimidazol-1-yl)methyl]benzimidazol-1-yl]ethyl methanesulfonate Openeye Name: 2-[2-[(3-ethyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-1-yl]ethyl methanesulfonate CAS Name: methanesulfonic acid 2-[2-[(3-ethyl-2-oxo-1-benzimidazolyl)methyl]-1-benzimidazolyl]ethyl ester IUPAC Name: 2-[2-[(3-ethyl-2-oxobenzimidazol-1-yl)methyl]benzimidazol-1-yl]ethyl methanesulfonate Traditional Name: methanesulfonic acid 2-[2-[(3-ethyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-1-yl]ethyl ester Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCOS(=O)(=O)C

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=O)CC3=NC4=CC=CC=C4N3CCOS(=O)(=O)C

InChI

InChI=1S/C20H22N4O4S/c1-3-22-17-10-6-7-11-18(17)24(20(22)25)14-19-21-15-8-4-5-9-16(15)23(19)12-13-28-29(2,26)27/h4-11H,3,12-14H2,1-2H3