tert-butyl 2-[(2Z)-2-(1,2-dihydropyrazol-3-ylidene)-6-(4-methylsulfonylphenoxy)benzimidazol-5-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[(2Z)-2-(1,2-dihydropyrazol-3-ylidene)-6-(4-methylsulfonylphenoxy)benzimidazol-5-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[(2Z)-2-(1,2-dihydropyrazol-3-ylidene)-6-(4-methylsulfonylphenoxy)benzimidazol-5-yl]pyrrolidine-1-carboxylate CAS Name: 2-[(2Z)-2-(1,2-dihydropyrazol-3-ylidene)-6-(4-methylsulfonylphenoxy)-5-benzimidazolyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2Z)-2-(1,2-dihydropyrazol-3-ylidene)-6-(4-methylsulfonylphenoxy)benzimidazol-5-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2Z)-6-(4-mesylphenoxy)-2-(3-pyrazolin-3-ylidene)benzimidazol-5-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H29N5O5S MolecularWeight: 523.60396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C2=CC3=NC(=C4C=CNN4)N=C3C=C2OC5=CC=C(C=C5)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C2=CC3=N/C(=C/4\C=CNN4)/N=C3C=C2OC5=CC=C(C=C5)S(=O)(=O)C

InChI

InChI=1S/C26H29N5O5S/c1-26(2,3)36-25(32)31-13-5-6-22(31)18-14-20-21(29-24(28-20)19-11-12-27-30-19)15-23(18)35-16-7-9-17(10-8-16)37(4,33)34/h7-12,14-15,22,27,30H,5-6,13H2,1-4H3/b24-19-