5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(2,5-dimethylphenyl)piperazino]sulfonylisoquinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H23N3O2S/c1-16-6-7-17(2)20(14-16)23-10-12-24(13-11-23)27(25,26)21-5-3-4-18-15-22-9-8-19(18)21/h3-9,14-15H,10-13H2,1-2H3