3-[(2H-benzotriazol-5-ylcarbonylamino)carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[(2H-benzotriazol-5-ylcarbonylamino)carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[(2H-benzotriazole-5-carbonylamino)carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[2H-benzotriazol-5-yl(oxo)methyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[(2H-benzotriazole-5-carbonylamino)carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[(2H-benzotriazole-5-carbonylamino)carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C18H20N6O4S MolecularWeight: 416.4542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=NNN=C3C=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)C2=CC3=NNN=C3C=C2

InChI

InChI=1S/C18H20N6O4S/c1-3-24(4-2)29(27,28)14-7-5-6-12(10-14)17(25)21-22-18(26)13-8-9-15-16(11-13)20-23-19-15/h5-11H,3-4H2,1-2H3,(H,21,25)(H,22,26)(H,19,20,23)