4-[3-(benzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[3-(benzotriazol-1-yl)piperidin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[[3-(benzotriazol-1-yl)-1-piperidyl]sulfonyl]benzonitrile CAS Name: 4-[[3-(1-benzotriazolyl)-1-piperidinyl]sulfonyl]benzonitrile IUPAC Name: 4-[3-(benzotriazol-1-yl)piperidin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[3-(benzotriazol-1-yl)piperidino]sulfonylbenzonitrile Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)C#N)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H17N5O2S/c19-12-14-7-9-16(10-8-14)26(24,25)22-11-3-4-15(13-22)23-18-6-2-1-5-17(18)20-21-23/h1-2,5-10,15H,3-4,11,13H2