1-(4-ethylpiperazin-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)isoquinoline dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)isoquinoline dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)isoquinoline dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(1-pyrrolidinylsulfonyl)phenyl]isoquinoline dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)isoquinoline dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-(4-pyrrolidinosulfonylphenyl)isoquinoline dihydrochloride Formula: C25H32Cl2N4O2S MolecularWeight: 523.51818

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)S(=O)(=O)N5CCCC5.Cl.Cl

InChI

InChI=1S/C25H30N4O2S.2ClH/c1-2-27-15-17-28(18-16-27)25-23-8-4-3-7-21(23)19-24(26-25)20-9-11-22(12-10-20)32(30,31)29-13-5-6-14-29;;/h3-4,7-12,19H,2,5-6,13-18H2,1H3;2*1H