1-chloranyl-5-[3-(2-methylpropyl)piperazin-1-yl]sulfonyl-isoquinoline

Systemtic Name: 1-chloranyl-5-[3-(2-methylpropyl)piperazin-1-yl]sulfonyl-isoquinoline Openeye Name: 1-chloro-5-(3-isobutylpiperazin-1-yl)sulfonyl-isoquinoline CAS Name: 1-chloro-5-[[3-(2-methylpropyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 1-chloro-5-[3-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 1-chloro-5-(3-isobutylpiperazino)sulfonyl-isoquinoline Formula: C17H22ClN3O2S MolecularWeight: 367.89348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

Isomeric SMILES

CC(C)CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

InChI

InChI=1S/C17H22ClN3O2S/c1-12(2)10-13-11-21(9-8-19-13)24(22,23)16-5-3-4-15-14(16)6-7-20-17(15)18/h3-7,12-13,19H,8-11H2,1-2H3