2-[4-[2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(3-keto-2-methyl-1,4-benzoxazin-4-yl)acetyl]piperazino]sulfonylbenzonitrile Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4O5S/c1-16-22(28)26(18-7-3-4-8-19(18)31-16)15-21(27)24-10-12-25(13-11-24)32(29,30)20-9-5-2-6-17(20)14-23/h2-9,16H,10-13,15H2,1H3