3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[3-(3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Formula: C19H27N5O4S MolecularWeight: 421.51378

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)CCN2C(=CC(=N2)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CCN2C(=CC(=N2)C)C

InChI

InChI=1S/C19H27N5O4S/c1-5-23(6-2)29(27,28)17-9-7-8-16(13-17)19(26)21-20-18(25)10-11-24-15(4)12-14(3)22-24/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,20,25)(H,21,26)