3-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[[2-(4-ethoxyphenyl)thiazol-4-yl]methoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[[2-(4-ethoxyphenyl)-4-thiazolyl]methoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: N,N-dimethyl-3-[(2-p-phenetylthiazol-4-yl)methoxy]benzotriazole-5-sulfonamide Formula: C20H21N5O4S2 MolecularWeight: 459.54184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=CS2)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=CS2)CON3C4=C(C=CC(=C4)S(=O)(=O)N(C)C)N=N3

InChI

InChI=1S/C20H21N5O4S2/c1-4-28-16-7-5-14(6-8-16)20-21-15(13-30-20)12-29-25-19-11-17(31(26,27)24(2)3)9-10-18(19)22-23-25/h5-11,13H,4,12H2,1-3H3