(3E)-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile

Systemtic Name: (3E)-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Openeye Name: (3E)-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile CAS Name: (3E)-3-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-indolylidene]-1,2-dihydroindazole-6-carbonitrile IUPAC Name: (3E)-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole-6-carbonitrile Traditional Name: (3E)-3-[5-[(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=CC3=CC(=C4C5=C(C=C(C=C5)C#N)NN4)N=C3C=C2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C/C(=C\4/C5=C(C=C(C=C5)C#N)NN4)/N=C3C=C2

InChI

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