4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one CAS Name: 4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-6-(1-pyrrolidinylsulfonyl)-1,4-benzoxazin-3-one IUPAC Name: 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-6-pyrrolidin-1-ylsulfonyl-1,4-benzoxazin-3-one Traditional Name: 4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-6-pyrrolidinosulfonyl-1,4-benzoxazin-3-one Formula: C22H26N6O5S MolecularWeight: 486.54404

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H26N6O5S/c29-20(25-10-12-26(13-11-25)22-23-6-3-7-24-22)15-28-18-14-17(4-5-19(18)33-16-21(28)30)34(31,32)27-8-1-2-9-27/h3-7,14H,1-2,8-13,15-16H2