4-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-N,N-diethyl-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzodioxol-5-ylamino)thiazol-4-yl]-N,N-diethyl-benzenesulfonamide CAS Name: 4-[2-(1,3-benzodioxol-5-ylamino)-4-thiazolyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-ylamino)-1,3-thiazol-4-yl]-N,N-diethylbenzenesulfonamide Traditional Name: 4-[2-(1,3-benzodioxol-5-ylamino)thiazol-4-yl]-N,N-diethyl-benzenesulfonamide Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O4S2/c1-3-23(4-2)29(24,25)16-8-5-14(6-9-16)17-12-28-20(22-17)21-15-7-10-18-19(11-15)27-13-26-18/h5-12H,3-4,13H2,1-2H3,(H,21,22)