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

Systemtic Name: (3E)-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole Openeye Name: (3E)-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole CAS Name: (3E)-3-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-indolylidene]-1,2-dihydroindazole IUPAC Name: (3E)-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole Traditional Name: (3E)-3-[5-[(4-mesylpiperazino)methyl]indol-2-ylidene]indazoline Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC3=CC(=C4C5=CC=CC=C5NN4)N=C3C=C2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C/C(=C\4/C5=CC=CC=C5NN4)/N=C3C=C2

InChI

InChI=1S/C21H23N5O2S/c1-29(27,28)26-10-8-25(9-11-26)14-15-6-7-18-16(12-15)13-20(22-18)21-17-4-2-3-5-19(17)23-24-21/h2-7,12-13,23-24H,8-11,14H2,1H3/b21-20+