5-[(3S)-3-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline dihydrochloride

Systemtic Name: 5-[(3S)-3-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline dihydrochloride Openeye Name: 5-[(3S)-3-isobutylpiperazin-1-yl]sulfonylisoquinoline dihydrochloride CAS Name: 5-[[(3S)-3-(2-methylpropyl)-1-piperazinyl]sulfonyl]isoquinoline dihydrochloride IUPAC Name: 5-[(3S)-3-(2-methylpropyl)piperazin-1-yl]sulfonylisoquinoline dihydrochloride Traditional Name: 5-[(3S)-3-isobutylpiperazino]sulfonylisoquinoline dihydrochloride Formula: C17H25Cl2N3O2S MolecularWeight: 406.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

Isomeric SMILES

CC(C)C[C@H]1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

InChI

InChI=1S/C17H23N3O2S.2ClH/c1-13(2)10-15-12-20(9-8-19-15)23(21,22)17-5-3-4-14-11-18-7-6-16(14)17;;/h3-7,11,13,15,19H,8-10,12H2,1-2H3;2*1H/t15-;;/m0../s1