4-[2-chloranyl-3-(dimethylamino)-4-methylsulfonyl-phenyl]carbonyl-5-ethyl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[2-chloranyl-3-(dimethylamino)-4-methylsulfonyl-phenyl]carbonyl-5-ethyl-1,2-dihydropyrazol-3-one Openeye Name: 4-[2-chloro-3-(dimethylamino)-4-methylsulfonyl-benzoyl]-5-ethyl-1,2-dihydropyrazol-3-one CAS Name: 4-[[2-chloro-3-(dimethylamino)-4-methylsulfonylphenyl]-oxomethyl]-5-ethyl-1,2-dihydropyrazol-3-one IUPAC Name: 4-[2-chloro-3-(dimethylamino)-4-methylsulfonylbenzoyl]-5-ethyl-1,2-dihydropyrazol-3-one Traditional Name: 4-[2-chloro-3-(dimethylamino)-4-mesyl-benzoyl]-5-ethyl-3-pyrazolin-3-one Formula: C15H18ClN3O4S MolecularWeight: 371.83912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)NN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N(C)C)Cl

Isomeric SMILES

CCC1=C(C(=O)NN1)C(=O)C2=C(C(=C(C=C2)S(=O)(=O)C)N(C)C)Cl

InChI

InChI=1S/C15H18ClN3O4S/c1-5-9-11(15(21)18-17-9)14(20)8-6-7-10(24(4,22)23)13(12(8)16)19(2)3/h6-7H,5H2,1-4H3,(H2,17,18,21)