4-[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 4-[(E)-3-[5-chloranyl-3-methyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)prop-2-enoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[(E)-3-[5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolyl]-1-oxoprop-2-enyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[(E)-3-(1-benzyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[(E)-3-(1-benzyl-5-chloro-3-methyl-pyrazol-4-yl)acryloyl]-N,N-dimethyl-benzenesulfonamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)N(C)C)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3S/c1-16-20(22(23)26(24-16)15-17-7-5-4-6-8-17)13-14-21(27)18-9-11-19(12-10-18)30(28,29)25(2)3/h4-14H,15H2,1-3H3/b14-13+