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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C24H30N6O5S MolecularWeight: 514.5972

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3CC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C24H30N6O5S/c31-22(27-12-14-28(15-13-27)24-25-8-5-9-26-24)17-30-20-16-19(6-7-21(20)35-18-23(30)32)36(33,34)29-10-3-1-2-4-11-29/h5-9,16H,1-4,10-15,17-18H2