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

Systemtic Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

InChI

InChI=1S/C23H25N5O4S/c1-16-12-20(17(2)27(16)14-18-8-6-5-7-9-18)23(29)15-32-28-22-13-19(33(30,31)26(3)4)10-11-21(22)24-25-28/h5-13H,14-15H2,1-4H3