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

Systemtic Name: 3-bromanyl-1-[4-chloranyl-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-indole dihydrochloride Openeye Name: 3-bromo-1-[4-chloro-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-indole dihydrochloride CAS Name: 3-bromo-1-[4-chloro-3-[(4-ethyl-1-piperazinyl)methyl]phenyl]sulfonyl-5-methoxyindole dihydrochloride IUPAC Name: 3-bromo-1-[4-chloro-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxyindole dihydrochloride Traditional Name: 3-bromo-1-[4-chloro-3-[(4-ethylpiperazino)methyl]phenyl]sulfonyl-5-methoxy-indole dihydrochloride Formula: C22H27BrCl3N3O3S MolecularWeight: 599.79608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrClN3O3S.2ClH/c1-3-25-8-10-26(11-9-25)14-16-12-18(5-6-21(16)24)31(28,29)27-15-20(23)19-13-17(30-2)4-7-22(19)27;;/h4-7,12-13,15H,3,8-11,14H2,1-2H3;2*1H