(3E)-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[4-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[4-[(4-mesylpiperazino)methyl]indol-2-ylidene]indazoline-6-carbonitrile Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC3=NC(=C4C5=C(C=C(C=C5)C#N)NN4)C=C32

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC=CC3=N/C(=C/4\C5=C(C=C(C=C5)C#N)NN4)/C=C32

InChI

InChI=1S/C22H22N6O2S/c1-31(29,30)28-9-7-27(8-10-28)14-16-3-2-4-19-18(16)12-21(24-19)22-17-6-5-15(13-23)11-20(17)25-26-22/h2-6,11-12,25-26H,7-10,14H2,1H3/b22-21+