[1-(3-methylbutyl)-2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl methanesulfonate

Systemtic Name: [1-(3-methylbutyl)-2-[(2-oxidanylidene-3-propan-2-yl-benzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl methanesulfonate Openeye Name: [1-isopentyl-2-[(3-isopropyl-2-oxo-benzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-yl-1-benzimidazolyl)methyl]-5-benzimidazolyl]methyl ester IUPAC Name: [1-(3-methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [1-isoamyl-2-[(3-isopropyl-2-keto-benzimidazol-1-yl)methyl]benzimidazol-5-yl]methyl ester Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)COS(=O)(=O)C)N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)COS(=O)(=O)C)N=C1CN3C4=CC=CC=C4N(C3=O)C(C)C

InChI

InChI=1S/C25H32N4O4S/c1-17(2)12-13-27-21-11-10-19(16-33-34(5,31)32)14-20(21)26-24(27)15-28-22-8-6-7-9-23(22)29(18(3)4)25(28)30/h6-11,14,17-18H,12-13,15-16H2,1-5H3