N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)ethanamide Openeye Name: N-[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide CAS Name: N-[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]-2-(2-methylsulfonyl-1-benzimidazolyl)acetamide IUPAC Name: N-[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide Traditional Name: N-[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]-2-(2-mesylbenzimidazol-1-yl)acetamide Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)C)CC4=CC=CO4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2C3=CC=CC=C3N=C2S(=O)(=O)C)CC4=CC=CO4)C

InChI

InChI=1S/C22H21N5O4S/c1-14-15(2)26(12-16-7-6-10-31-16)21(17(14)11-23)25-20(28)13-27-19-9-5-4-8-18(19)24-22(27)32(3,29)30/h4-10H,12-13H2,1-3H3,(H,25,28)