5-(4-phenethylpiperazin-1-yl)sulfonylisoquinoline

Systemtic Name: 5-(4-phenethylpiperazin-1-yl)sulfonylisoquinoline Openeye Name: 5-(4-phenethylpiperazin-1-yl)sulfonylisoquinoline CAS Name: 5-[(4-phenethyl-1-piperazinyl)sulfonyl]isoquinoline IUPAC Name: 5-(4-phenethylpiperazin-1-yl)sulfonylisoquinoline Traditional Name: 5-(4-phenethylpiperazino)sulfonylisoquinoline Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H23N3O2S/c25-27(26,21-8-4-7-19-17-22-11-9-20(19)21)24-15-13-23(14-16-24)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2