2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethoxy]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethoxy]-5-pyrrolidinosulfonyl-benzamide Formula: C21H26N6O5S MolecularWeight: 474.53334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)N3CCN(CC3)C4=NC=CC=N4)C(=O)N

InChI

InChI=1S/C21H26N6O5S/c22-20(29)17-14-16(33(30,31)27-8-1-2-9-27)4-5-18(17)32-15-19(28)25-10-12-26(13-11-25)21-23-6-3-7-24-21/h3-7,14H,1-2,8-13,15H2,(H2,22,29)