(4S)-2-(4-chlorophenyl)sulfonyl-5-methyl-4-(2-methylprop-2-enyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-2-(4-chlorophenyl)sulfonyl-5-methyl-4-(2-methylprop-2-enyl)-4H-pyrazol-3-one Openeye Name: (4S)-2-(4-chlorophenyl)sulfonyl-5-methyl-4-(2-methylallyl)-4H-pyrazol-3-one CAS Name: (4S)-2-(4-chlorophenyl)sulfonyl-5-methyl-4-(2-methylprop-2-enyl)-4H-pyrazol-3-one IUPAC Name: (4S)-2-(4-chlorophenyl)sulfonyl-5-methyl-4-(2-methylprop-2-enyl)-4H-pyrazol-3-one Traditional Name: (4S)-2-(4-chlorophenyl)sulfonyl-5-methyl-4-(2-methylallyl)-2-pyrazolin-3-one Formula: C14H15ClN2O3S MolecularWeight: 326.7985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=C)C)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=O)[C@H]1CC(=C)C)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H15ClN2O3S/c1-9(2)8-13-10(3)16-17(14(13)18)21(19,20)12-6-4-11(15)5-7-12/h4-7,13H,1,8H2,2-3H3/t13-/m0/s1