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

Systemtic Name: 1-[4-bromanyl-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-3-methyl-indole dihydrochloride Openeye Name: 1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-3-methyl-indole dihydrochloride CAS Name: 1-[4-bromo-3-[(4-ethyl-1-piperazinyl)methyl]phenyl]sulfonyl-5-methoxy-3-methylindole dihydrochloride IUPAC Name: 1-[4-bromo-3-[(4-ethylpiperazin-1-yl)methyl]phenyl]sulfonyl-5-methoxy-3-methylindole dihydrochloride Traditional Name: 1-[4-bromo-3-[(4-ethylpiperazino)methyl]phenyl]sulfonyl-5-methoxy-3-methyl-indole dihydrochloride Formula: C23H30BrCl2N3O3S MolecularWeight: 579.3776

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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)C)Br.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S.2ClH/c1-4-25-9-11-26(12-10-25)16-18-13-20(6-7-22(18)24)31(28,29)27-15-17(2)21-14-19(30-3)5-8-23(21)27;;/h5-8,13-15H,4,9-12,16H2,1-3H3;2*1H