N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-4-fluoranyl-N-(4-fluorophenyl)sulfonyl-benzenesulfonamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-4-fluoranyl-N-(4-fluorophenyl)sulfonyl-benzenesulfonamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-4-fluoro-N-(4-fluorophenyl)sulfonyl-benzenesulfonamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-4-fluoro-N-(4-fluorophenyl)sulfonylbenzenesulfonamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-4-fluoro-N-(4-fluorophenyl)sulfonyl-benzenesulfonamide Formula: C26H21F2N3O4S2 MolecularWeight: 541.589446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)N(S(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)N(S(=O)(=O)C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)F)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H21F2N3O4S2/c1-18-19(2)30(17-20-6-4-3-5-7-20)26(25(18)16-29)31(36(32,33)23-12-8-21(27)9-13-23)37(34,35)24-14-10-22(28)11-15-24/h3-15H,17H2,1-2H3