3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]sulfonylbenzonitrile Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H18N4O2S2/c20-13-15-4-3-5-16(12-15)27(24,25)23-10-8-22(9-11-23)14-19-21-17-6-1-2-7-18(17)26-19/h1-7,12H,8-11,14H2