1-piperazin-1-yl-3-(4-propylsulfonylphenyl)isoquinoline

Systemtic Name: 1-piperazin-1-yl-3-(4-propylsulfonylphenyl)isoquinoline Openeye Name: 1-piperazin-1-yl-3-(4-propylsulfonylphenyl)isoquinoline CAS Name: 1-(1-piperazinyl)-3-(4-propylsulfonylphenyl)isoquinoline IUPAC Name: 1-piperazin-1-yl-3-(4-propylsulfonylphenyl)isoquinoline Traditional Name: 1-piperazino-3-(4-propylsulfonylphenyl)isoquinoline Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCNCC4

Isomeric SMILES

CCCS(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCNCC4

InChI

InChI=1S/C22H25N3O2S/c1-2-15-28(26,27)19-9-7-17(8-10-19)21-16-18-5-3-4-6-20(18)22(24-21)25-13-11-23-12-14-25/h3-10,16,23H,2,11-15H2,1H3