2-[4-[2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[1-oxo-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]ethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]acetyl]piperazino]sulfonylbenzonitrile Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2C(=O)NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)C[C@@H]2C(=O)NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4O4S2/c22-14-15-5-1-4-8-19(15)31(28,29)25-11-9-24(10-12-25)20(26)13-18-21(27)23-16-6-2-3-7-17(16)30-18/h1-8,18H,9-13H2,(H,23,27)/t18-/m1/s1