4-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(6-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(6-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazino]sulfonylbenzonitrile Formula: C18H15ClN4O2S2 MolecularWeight: 418.9203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H15ClN4O2S2/c19-14-3-6-16-17(11-14)26-18(21-16)22-7-9-23(10-8-22)27(24,25)15-4-1-13(12-20)2-5-15/h1-6,11H,7-10H2