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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC3=C(C=C2)N(C=C3Br)S(=O)(=O)C4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=CC3=C(C=C2)N(C=C3Br)S(=O)(=O)C4=CC=C(C=C4)Cl.Cl.Cl

InChI

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