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

Systemtic Name: 1-[4-bromanyl-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride Openeye Name: 1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride CAS Name: 1-[4-bromo-3-[(4-ethyl-1-piperazinyl)methyl]phenyl]sulfonyl-3-methylindole dihydrochloride IUPAC Name: 1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-3-methylindole dihydrochloride Traditional Name: 1-[4-bromo-3-[(4-ethylpiperazino)methyl]phenyl]sulfonyl-3-methyl-indole dihydrochloride Formula: C22H28BrCl2N3O2S MolecularWeight: 549.35162

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=C(C4=CC=CC=C43)C)Br.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=C(C=CC(=C2)S(=O)(=O)N3C=C(C4=CC=CC=C43)C)Br.Cl.Cl

InChI

InChI=1S/C22H26BrN3O2S.2ClH/c1-3-24-10-12-25(13-11-24)16-18-14-19(8-9-21(18)23)29(27,28)26-15-17(2)20-6-4-5-7-22(20)26;;/h4-9,14-15H,3,10-13,16H2,1-2H3;2*1H