3-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[2-[1-(2-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[2-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C22H22FN5O4S MolecularWeight: 471.504583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

InChI

InChI=1S/C22H22FN5O4S/c1-14-11-17(15(2)27(14)20-8-6-5-7-18(20)23)22(29)13-32-28-21-12-16(33(30,31)26(3)4)9-10-19(21)24-25-28/h5-12H,13H2,1-4H3