N-(2,6-dimethylphenyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-(2-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-(2-mesylbenzoyl)pyrazolidine-1-carboxamide Formula: C20H23N3O4S MolecularWeight: 401.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C20H23N3O4S/c1-14-8-6-9-15(2)18(14)21-20(25)23-13-7-12-22(23)19(24)16-10-4-5-11-17(16)28(3,26)27/h4-6,8-11H,7,12-13H2,1-3H3,(H,21,25)