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

Systemtic Name: 2-[4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]piperazino]sulfonylbenzonitrile Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3CS2)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3CS2)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C21H20N4O3S3/c22-13-16-5-2-4-8-19(16)31(27,28)25-11-9-24(10-12-25)20(26)15-30-21-23-18-7-3-1-6-17(18)14-29-21/h1-8H,9-12,14-15H2