1-ethyl-N-(2-methylpropyl)-4-[3-(phenylsulfonyl)propanoylamino]pyrazole-3-carboxamide

Systemtic Name: 1-ethyl-N-(2-methylpropyl)-4-[3-(phenylsulfonyl)propanoylamino]pyrazole-3-carboxamide Openeye Name: 4-[3-(benzenesulfonyl)propanoylamino]-1-ethyl-N-isobutyl-pyrazole-3-carboxamide CAS Name: 4-[[3-(benzenesulfonyl)-1-oxopropyl]amino]-1-ethyl-N-(2-methylpropyl)-3-pyrazolecarboxamide IUPAC Name: 4-[3-(benzenesulfonyl)propanoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide Traditional Name: 4-(3-besylpropanoylamino)-1-ethyl-N-isobutyl-pyrazole-3-carboxamide Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC(C)C)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC(C)C)NC(=O)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H26N4O4S/c1-4-23-13-16(18(22-23)19(25)20-12-14(2)3)21-17(24)10-11-28(26,27)15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,20,25)(H,21,24)