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

Systemtic Name: 1-(4-ethylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline Openeye Name: 1-(4-ethylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline CAS Name: 1-(4-ethylsulfonyl-1-piperazinyl)-3-(4-methoxyphenyl)isoquinoline IUPAC Name: 1-(4-ethylsulfonylpiperazin-1-yl)-3-(4-methoxyphenyl)isoquinoline Traditional Name: 1-(4-esylpiperazino)-3-(4-methoxyphenyl)isoquinoline Formula: C22H25N3O3S MolecularWeight: 411.5172

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/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