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

Systemtic Name: 5-bromanyl-1-[4-chloranyl-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole dihydrochloride Openeye Name: 5-bromo-1-[4-chloro-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-indole dihydrochloride CAS Name: 5-bromo-1-[4-chloro-3-[(4-ethyl-1-piperazinyl)methyl]phenyl]sulfonylindole dihydrochloride IUPAC Name: 5-bromo-1-[4-chloro-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonylindole dihydrochloride Traditional Name: 5-bromo-1-[4-chloro-3-[(4-ethylpiperazino)methyl]phenyl]sulfonyl-indole dihydrochloride Formula: C21H25BrCl3N3O2S MolecularWeight: 569.7701

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)Br)Cl.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=CC4=C3C=CC(=C4)Br)Cl.Cl.Cl

InChI

InChI=1S/C21H23BrClN3O2S.2ClH/c1-2-24-9-11-25(12-10-24)15-17-14-19(4-5-20(17)23)29(27,28)26-8-7-16-13-18(22)3-6-21(16)26;;/h3-8,13-14H,2,9-12,15H2,1H3;2*1H