1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylcyclopropane-1-carbonitrile

Systemtic Name: 1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]carbonylcyclopropane-1-carbonitrile Openeye Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]cyclopropanecarbonitrile CAS Name: 1-[[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-oxomethyl]-1-cyclopropanecarbonitrile IUPAC Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carbonyl]cyclopropane-1-carbonitrile Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidine-1-carbonyl]cyclopropanecarbonitrile Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)C3(CC3)C#N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)C3(CC3)C#N

InChI

InChI=1S/C16H17N3O4S/c1-24(22,23)13-6-3-2-5-12(13)14(20)18-9-4-10-19(18)15(21)16(11-17)7-8-16/h2-3,5-6H,4,7-10H2,1H3