N-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)amino]ethyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]propanamide Traditional Name: 3-besyl-N-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]propionamide Formula: C17H22N4O4S MolecularWeight: 378.44598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)CNC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N4O4S/c1-12-17(13(2)21(3)20-12)19-16(23)11-18-15(22)9-10-26(24,25)14-7-5-4-6-8-14/h4-8H,9-11H2,1-3H3,(H,18,22)(H,19,23)