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

Systemtic Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Openeye Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1,4-benzoxazin-3-one CAS Name: 6-(1-azepanylsulfonyl)-4-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,4-benzoxazin-3-one Traditional Name: 6-(azepan-1-ylsulfonyl)-4-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-1,4-benzoxazin-3-one Formula: C25H31N5O5S MolecularWeight: 513.60914

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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=CC=CC=N5

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O5S/c31-24(28-15-13-27(14-16-28)23-7-3-4-10-26-23)18-30-21-17-20(8-9-22(21)35-19-25(30)32)36(33,34)29-11-5-1-2-6-12-29/h3-4,7-10,17H,1-2,5-6,11-16,18-19H2