3-[[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]carbamoyl]-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 3-[[2-(3,5-dimethylpyrazol-1-yl)ethanoylamino]carbamoyl]-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-3-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide CAS Name: 3-[[[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]hydrazo]-oxomethyl]-N-prop-2-enylbenzenesulfonamide IUPAC Name: 3-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-3-[[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC=C)C

InChI

InChI=1S/C17H21N5O4S/c1-4-8-18-27(25,26)15-7-5-6-14(10-15)17(24)20-19-16(23)11-22-13(3)9-12(2)21-22/h4-7,9-10,18H,1,8,11H2,2-3H3,(H,19,23)(H,20,24)