ethyl 1-ethyl-2-[[(1R)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[[(1R)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]benzimidazole-5-carboxylate Openeye Name: ethyl 2-[[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(1R)-2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[(1R)-2-besyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C28H29N3O4S MolecularWeight: 503.61256

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1CC3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1C[C@@H]3C4=CC=CC=C4CCN3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O4S/c1-3-30-25-15-14-21(28(32)35-4-2)18-24(25)29-27(30)19-26-23-13-9-8-10-20(23)16-17-31(26)36(33,34)22-11-6-5-7-12-22/h5-15,18,26H,3-4,16-17,19H2,1-2H3/t26-/m1/s1