3-[(5-piperazin-1-yl-2H-indazol-3-yl)sulfonyl]benzenecarbonitrile

Systemtic Name: 3-[(5-piperazin-1-yl-2H-indazol-3-yl)sulfonyl]benzenecarbonitrile Openeye Name: 3-[(5-piperazin-1-yl-2H-indazol-3-yl)sulfonyl]benzonitrile CAS Name: 3-[[5-(1-piperazinyl)-2H-indazol-3-yl]sulfonyl]benzonitrile IUPAC Name: 3-[(5-piperazin-1-yl-2H-indazol-3-yl)sulfonyl]benzonitrile Traditional Name: 3-[(5-piperazino-2H-indazol-3-yl)sulfonyl]benzonitrile Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1)C2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

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