N-(2,6-diethylphenyl)-2-(4-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carboxamide

Systemtic Name: N-(2,6-diethylphenyl)-2-(4-methylsulfonylphenyl)carbonyl-pyrazolidine-1-carboxamide Openeye Name: N-(2,6-diethylphenyl)-2-(4-methylsulfonylbenzoyl)pyrazolidine-1-carboxamide CAS Name: N-(2,6-diethylphenyl)-2-[(4-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(2,6-diethylphenyl)-2-(4-methylsulfonylbenzoyl)pyrazolidine-1-carboxamide Traditional Name: N-(2,6-diethylphenyl)-2-(4-mesylbenzoyl)pyrazolidine-1-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)N2CCCN2C(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H27N3O4S/c1-4-16-8-6-9-17(5-2)20(16)23-22(27)25-15-7-14-24(25)21(26)18-10-12-19(13-11-18)30(3,28)29/h6,8-13H,4-5,7,14-15H2,1-3H3,(H,23,27)