methyl 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: methyl 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: methyl 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-indoline-5-carboxylate CAS Name: 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 3-[2-(1H-benzimidazol-2-yl)ethyl]-1-mesyl-indoline-5-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(CC2CCC3=NC4=CC=CC=C4N3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(CC2CCC3=NC4=CC=CC=C4N3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O4S/c1-27-20(24)13-7-9-18-15(11-13)14(12-23(18)28(2,25)26)8-10-19-21-16-5-3-4-6-17(16)22-19/h3-7,9,11,14H,8,10,12H2,1-2H3,(H,21,22)