1-[5-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-yl]-4-propan-2-yl-piperazine trihydrochloride

Systemtic Name: 1-[5-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-yl]-4-propan-2-yl-piperazine trihydrochloride Openeye Name: 1-isopropyl-4-[5-(4-piperazin-1-ylsulfonylphenyl)-2-pyridyl]piperazine trihydrochloride CAS Name: 1-[5-[4-(1-piperazinylsulfonyl)phenyl]-2-pyridinyl]-4-propan-2-ylpiperazine trihydrochloride IUPAC Name: 1-[5-(4-piperazin-1-ylsulfonylphenyl)pyridin-2-yl]-4-propan-2-ylpiperazine trihydrochloride Traditional Name: 1-isopropyl-4-[5-(4-piperazinosulfonylphenyl)-2-pyridyl]piperazine trihydrochloride Formula: C22H34Cl3N5O2S MolecularWeight: 538.96166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCNCC4.Cl.Cl.Cl

Isomeric SMILES

CC(C)N1CCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)N4CCNCC4.Cl.Cl.Cl

InChI

InChI=1S/C22H31N5O2S.3ClH/c1-18(2)25-13-15-26(16-14-25)22-8-5-20(17-24-22)19-3-6-21(7-4-19)30(28,29)27-11-9-23-10-12-27;;;/h3-8,17-18,23H,9-16H2,1-2H3;3*1H