5-bromanyl-1-[4-chloranyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole dihydrochloride

Systemtic Name: 5-bromanyl-1-[4-chloranyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole dihydrochloride Openeye Name: 5-bromo-1-[4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole dihydrochloride CAS Name: 5-bromo-1-[4-chloro-3-[(4-methyl-1-piperazinyl)methyl]phenyl]sulfonylindole dihydrochloride IUPAC Name: 5-bromo-1-[4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]sulfonylindole dihydrochloride Traditional Name: 5-bromo-1-[4-chloro-3-[(4-methylpiperazino)methyl]phenyl]sulfonyl-indole dihydrochloride Formula: C20H23BrCl3N3O2S MolecularWeight: 555.74352

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)Br)Cl.Cl.Cl

Isomeric SMILES

CN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)Br)Cl.Cl.Cl

InChI

InChI=1S/C20H21BrClN3O2S.2ClH/c1-23-8-10-24(11-9-23)14-16-13-18(3-4-19(16)22)28(26,27)25-7-6-15-12-17(21)2-5-20(15)25;;/h2-7,12-13H,8-11,14H2,1H3;2*1H