1-[2-(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylpyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one

Systemtic Name: 1-[2-(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylpyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Openeye Name: 1-[2-(3-chloro-4-methylsulfonyl-thiophene-2-carbonyl)pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: 1-[2-[(3-chloro-4-methylsulfonyl-2-thiophenyl)-oxomethyl]-1-pyrazolidinyl]-3-(2,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[2-(3-chloro-4-methylsulfonylthiophene-2-carbonyl)pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[2-(3-chloro-4-mesyl-thiophene-2-carbonyl)pyrazolidin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Formula: C20H21ClN2O6S2 MolecularWeight: 484.97354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=C(C(=CS3)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCN2C(=O)C3=C(C(=CS3)S(=O)(=O)C)Cl

InChI

InChI=1S/C20H21ClN2O6S2/c1-28-14-6-7-15(29-2)13(11-14)5-8-17(24)22-9-4-10-23(22)20(25)19-18(21)16(12-30-19)31(3,26)27/h5-8,11-12H,4,9-10H2,1-3H3