[4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-ethanoyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [4-acetyl-2-[(2-pyrimidinylthio)methyl]phenyl] ester IUPAC Name: [4-acetyl-2-(pyrimidin-2-ylsulfanylmethyl)phenyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [4-acetyl-2-[(2-pyrimidylthio)methyl]phenyl] ester Formula: C24H23N3O5S2 MolecularWeight: 497.58652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)CSC4=NC=CC=N4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3)CSC4=NC=CC=N4

InChI

InChI=1S/C24H23N3O5S2/c1-17(28)18-8-9-22(20(14-18)16-33-24-25-10-5-11-26-24)32-23(29)19-6-4-7-21(15-19)34(30,31)27-12-2-3-13-27/h4-11,14-15H,2-3,12-13,16H2,1H3