(3E)-6-chloranyl-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole

Systemtic Name: (3E)-6-chloranyl-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole Openeye Name: (3E)-6-chloro-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole CAS Name: (3E)-6-chloro-3-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-indolylidene]-1,2-dihydroindazole IUPAC Name: (3E)-6-chloro-3-[5-(4-methylpiperazin-1-yl)sulfonylindol-2-ylidene]-1,2-dihydroindazole Traditional Name: (3E)-6-chloro-3-[5-(4-methylpiperazino)sulfonylindol-2-ylidene]indazoline Formula: C20H20ClN5O2S MolecularWeight: 429.9231

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC3=CC(=C4C5=C(C=C(C=C5)Cl)NN4)N=C3C=C2

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC3=C/C(=C\4/C5=C(C=C(C=C5)Cl)NN4)/N=C3C=C2

InChI

InChI=1S/C20H20ClN5O2S/c1-25-6-8-26(9-7-25)29(27,28)15-3-5-17-13(10-15)11-19(22-17)20-16-4-2-14(21)12-18(16)23-24-20/h2-5,10-12,23-24H,6-9H2,1H3/b20-19+