1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-[(4-methylsulfonylphenyl)methyl]benzimidazol-2-one

Systemtic Name: 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-[(4-methylsulfonylphenyl)methyl]benzimidazol-2-one Openeye Name: 1-[(1-isopentylbenzimidazol-2-yl)methyl]-3-[(4-methylsulfonylphenyl)methyl]benzimidazol-2-one CAS Name: 1-[[1-(3-methylbutyl)-2-benzimidazolyl]methyl]-3-[(4-methylsulfonylphenyl)methyl]-2-benzimidazolone IUPAC Name: 1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-[(4-methylsulfonylphenyl)methyl]benzimidazol-2-one Traditional Name: 1-[(1-isoamylbenzimidazol-2-yl)methyl]-3-(4-mesylbenzyl)benzimidazol-2-one Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C28H30N4O3S/c1-20(2)16-17-30-24-9-5-4-8-23(24)29-27(30)19-32-26-11-7-6-10-25(26)31(28(32)33)18-21-12-14-22(15-13-21)36(3,34)35/h4-15,20H,16-19H2,1-3H3