3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N,N-dimethyl-5-benzotriazolesulfonamide IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-N,N-dimethyl-benzotriazole-5-sulfonamide Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC2=C(C=C1)N=NN2OCC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H21N5O4S/c1-22(2)29(26,27)16-7-8-17-18(11-16)24(21-20-17)28-13-19(25)23-10-9-14-5-3-4-6-15(14)12-23/h3-8,11H,9-10,12-13H2,1-2H3