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

Systemtic Name: 5-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-(5-isobutyl-2-methyl-piperazin-1-yl)sulfonylisoquinoline CAS Name: 5-[[2-methyl-5-(2-methylpropyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[2-methyl-5-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-(5-isobutyl-2-methyl-piperazino)sulfonylisoquinoline Formula: C18H25N3O2S MolecularWeight: 347.475

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC(C)C

Isomeric SMILES

CC1CNC(CN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)CC(C)C

InChI

InChI=1S/C18H25N3O2S/c1-13(2)9-16-12-21(14(3)10-20-16)24(22,23)18-6-4-5-15-11-19-8-7-17(15)18/h4-8,11,13-14,16,20H,9-10,12H2,1-3H3