3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[[5-(4-chlorophenyl)oxazol-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide CAS Name: 3-[[5-(4-chlorophenyl)-2-oxazolyl]methoxy]-N,N-diethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methoxy]-N,N-diethylbenzotriazole-5-sulfonamide Traditional Name: 3-[[5-(4-chlorophenyl)oxazol-2-yl]methoxy]-N,N-diethyl-benzotriazole-5-sulfonamide Formula: C20H20ClN5O4S MolecularWeight: 461.9219

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC3=NC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC3=NC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN5O4S/c1-3-25(4-2)31(27,28)16-9-10-17-18(11-16)26(24-23-17)29-13-20-22-12-19(30-20)14-5-7-15(21)8-6-14/h5-12H,3-4,13H2,1-2H3