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

Systemtic Name: 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-(4-isobutylpiperazin-1-yl)sulfonylisoquinoline CAS Name: 5-[[4-(2-methylpropyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-(4-isobutylpiperazino)sulfonylisoquinoline Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC(C)CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H23N3O2S/c1-14(2)13-19-8-10-20(11-9-19)23(21,22)17-5-3-4-15-12-18-7-6-16(15)17/h3-7,12,14H,8-11,13H2,1-2H3