1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[2-(2-methylsulfonylphenyl)carbonylpyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[2-[(2-methylsulfonylphenyl)-oxomethyl]-1-pyrazolidinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[2-(2-mesylbenzoyl)pyrazolidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C23H28N2O7S MolecularWeight: 476.54262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCCN2C(=O)C3=CC=CC=C3S(=O)(=O)C

InChI

InChI=1S/C23H28N2O7S/c1-30-18-14-16(15-19(31-2)22(18)32-3)10-11-21(26)24-12-7-13-25(24)23(27)17-8-5-6-9-20(17)33(4,28)29/h5-6,8-9,14-15H,7,10-13H2,1-4H3