3-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[3-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-oxidanylidene-propyl]-1,3-benzoxazol-2-one Openeye Name: 3-[3-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-oxo-propyl]-1,3-benzoxazol-2-one CAS Name: 3-[3-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-3-oxopropyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[3-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one Traditional Name: 3-[3-keto-3-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]propyl]-1,3-benzoxazol-2-one Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C(=O)N2CCCN2C(=O)CCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H21N3O6S/c1-31(28,29)18-10-5-2-7-15(18)20(26)24-13-6-12-23(24)19(25)11-14-22-16-8-3-4-9-17(16)30-21(22)27/h2-5,7-10H,6,11-14H2,1H3