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

Systemtic Name: (3E)-6-chloranyl-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole Openeye Name: (3E)-6-chloro-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole CAS Name: (3E)-6-chloro-3-[5-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-indolylidene]-1,2-dihydroindazole IUPAC Name: (3E)-6-chloro-3-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]indol-2-ylidene]-1,2-dihydroindazole Traditional Name: (3E)-6-chloro-3-[5-[(4-mesylpiperazino)methyl]indol-2-ylidene]indazoline Formula: C21H22ClN5O2S MolecularWeight: 443.94968

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC3=CC(=C4C5=C(C=C(C=C5)Cl)NN4)N=C3C=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O2S/c1-30(28,29)27-8-6-26(7-9-27)13-14-2-5-18-15(10-14)11-20(23-18)21-17-4-3-16(22)12-19(17)24-25-21/h2-5,10-12,24-25H,6-9,13H2,1H3/b21-20+