2-[4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[3-(3-keto-1,4-benzothiazin-4-yl)propanoyl]piperazino]sulfonylbenzonitrile Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCN2C(=O)CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCN2C(=O)CSC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4O4S2/c23-15-17-5-1-4-8-20(17)32(29,30)25-13-11-24(12-14-25)21(27)9-10-26-18-6-2-3-7-19(18)31-16-22(26)28/h1-8H,9-14,16H2