N-(2,6-dimethylphenyl)-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[2-(4-methylsulfonylphenyl)ethanoyl]pyrazolidine-1-carboxamide Openeye Name: N-(2,6-dimethylphenyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carboxamide CAS Name: N-(2,6-dimethylphenyl)-2-[2-(4-methylsulfonylphenyl)-1-oxoethyl]-1-pyrazolidinecarboxamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[2-(4-methylsulfonylphenyl)acetyl]pyrazolidine-1-carboxamide Traditional Name: N-(2,6-dimethylphenyl)-2-[2-(4-mesylphenyl)acetyl]pyrazolidine-1-carboxamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)N2CCCN2C(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H25N3O4S/c1-15-6-4-7-16(2)20(15)22-21(26)24-13-5-12-23(24)19(25)14-17-8-10-18(11-9-17)29(3,27)28/h4,6-11H,5,12-14H2,1-3H3,(H,22,26)