1-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-2-[2-(phenylsulfonyl)ethylsulfanyl]ethanone

Systemtic Name: 1-[2-(2,6-dimethoxypyridin-3-yl)carbonylpyrazolidin-1-yl]-2-[2-(phenylsulfonyl)ethylsulfanyl]ethanone Openeye Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]ethanone CAS Name: 2-[2-(benzenesulfonyl)ethylthio]-1-[2-[(2,6-dimethoxy-3-pyridinyl)-oxomethyl]-1-pyrazolidinyl]ethanone IUPAC Name: 2-[2-(benzenesulfonyl)ethylsulfanyl]-1-[2-(2,6-dimethoxypyridine-3-carbonyl)pyrazolidin-1-yl]ethanone Traditional Name: 2-(2-besylethylthio)-1-[2-(2,6-dimethoxynicotinoyl)pyrazolidin-1-yl]ethanone Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)CSCCS(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=NC(=C(C=C1)C(=O)N2CCCN2C(=O)CSCCS(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H25N3O6S2/c1-29-18-10-9-17(20(22-18)30-2)21(26)24-12-6-11-23(24)19(25)15-31-13-14-32(27,28)16-7-4-3-5-8-16/h3-5,7-10H,6,11-15H2,1-2H3