N-(1-adamantyl)-3-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]propanamide

Systemtic Name: N-(1-adamantyl)-3-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]propanamide Openeye Name: N-(1-adamantyl)-3-[2-[2-(p-tolylsulfonyl)ethyl]benzimidazol-1-yl]propanamide CAS Name: N-(1-adamantyl)-3-[2-[2-(4-methylphenyl)sulfonylethyl]-1-benzimidazolyl]propanamide IUPAC Name: N-(1-adamantyl)-3-[2-[2-(4-methylphenyl)sulfonylethyl]benzimidazol-1-yl]propanamide Traditional Name: N-(1-adamantyl)-3-[2-(2-tosylethyl)benzimidazol-1-yl]propionamide Formula: C29H35N3O3S MolecularWeight: 505.6715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=NC3=CC=CC=C3N2CCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H35N3O3S/c1-20-6-8-24(9-7-20)36(34,35)13-11-27-30-25-4-2-3-5-26(25)32(27)12-10-28(33)31-29-17-21-14-22(18-29)16-23(15-21)19-29/h2-9,21-23H,10-19H2,1H3,(H,31,33)