methyl 2-[2-(benzimidazol-1-yl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[2-(benzimidazol-1-yl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 2-[2-(benzimidazol-1-yl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-(1-benzimidazolyl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(benzimidazol-1-yl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[2-(benzimidazol-1-yl)ethylsulfonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CCN3C=NC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2CN1S(=O)(=O)CCN3C=NC4=CC=CC=C43

InChI

InChI=1S/C20H21N3O4S/c1-27-20(24)19-12-15-6-2-3-7-16(15)13-23(19)28(25,26)11-10-22-14-21-17-8-4-5-9-18(17)22/h2-9,14,19H,10-13H2,1H3