1-(4-ethylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride Openeye Name: 1-(4-ethylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride CAS Name: 1-(4-ethylsulfonyl-1-piperazinyl)-3-(4-methoxyphenyl)isoquinoline hydrochloride IUPAC Name: 1-(4-ethylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline hydrochloride Traditional Name: 1-(4-esylpiperazino)-3-(4-methoxyphenyl)isoquinoline hydrochloride Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl

InChI

InChI=1S/C22H25N3O3S.ClH/c1-3-29(26,27)25-14-12-24(13-15-25)22-20-7-5-4-6-18(20)16-21(23-22)17-8-10-19(28-2)11-9-17;/h4-11,16H,3,12-15H2,1-2H3;1H