(4,4-dimethyl-5-oxidanylidene-2-phenyl-pyrazolidin-1-yl)methyl 4-chloranyl-3-(methylsulfonylamino)benzoate

Systemtic Name: (4,4-dimethyl-5-oxidanylidene-2-phenyl-pyrazolidin-1-yl)methyl 4-chloranyl-3-(methylsulfonylamino)benzoate Openeye Name: (4,4-dimethyl-5-oxo-2-phenyl-pyrazolidin-1-yl)methyl 4-chloro-3-(methanesulfonamido)benzoate CAS Name: 4-chloro-3-(methanesulfonamido)benzoic acid (4,4-dimethyl-5-oxo-2-phenyl-1-pyrazolidinyl)methyl ester IUPAC Name: (4,4-dimethyl-5-oxo-2-phenylpyrazolidin-1-yl)methyl 4-chloro-3-(methanesulfonamido)benzoate Traditional Name: 4-chloro-3-(methanesulfonamido)benzoic acid (5-keto-4,4-dimethyl-2-phenyl-pyrazolidin-1-yl)methyl ester Formula: C20H22ClN3O5S MolecularWeight: 451.92378

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(N(C1=O)COC(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C)C3=CC=CC=C3)C

Isomeric SMILES

CC1(CN(N(C1=O)COC(=O)C2=CC(=C(C=C2)Cl)NS(=O)(=O)C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H22ClN3O5S/c1-20(2)12-23(15-7-5-4-6-8-15)24(19(20)26)13-29-18(25)14-9-10-16(21)17(11-14)22-30(3,27)28/h4-11,22H,12-13H2,1-3H3