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

Systemtic Name: 4-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[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=C(C=C5)C#N

Isomeric SMILES

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

InChI

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