2-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazino]sulfonylbenzonitrile Formula: C25H22N6O3S MolecularWeight: 486.54558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)S(=O)(=O)C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)CN3C4=CC=CC=C4N=N3)S(=O)(=O)C5=CC=CC=C5C#N

InChI

InChI=1S/C25H22N6O3S/c26-17-21-5-1-4-8-24(21)35(33,34)30-15-13-29(14-16-30)25(32)20-11-9-19(10-12-20)18-31-23-7-3-2-6-22(23)27-28-31/h1-12H,13-16,18H2