(phenylmethyl) (2S)-2-[6-(4-methylsulfonylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[6-(4-methylsulfonylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(4-methylsulfonylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(4-methylsulfonylphenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[6-(4-methylsulfonylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(4-mesylphenyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)C4CCCN4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)[C@@H]4CCCN4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C26H25N3O4S/c1-34(31,32)21-12-9-19(10-13-21)20-11-14-22-23(16-20)28-25(27-22)24-8-5-15-29(24)26(30)33-17-18-6-3-2-4-7-18/h2-4,6-7,9-14,16,24H,5,8,15,17H2,1H3,(H,27,28)/t24-/m0/s1