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

Systemtic Name: 5-[(3S)-3-(phenylmethyl)piperazin-1-yl]sulfonylisoquinoline dihydrochloride Openeye Name: 5-[(3S)-3-benzylpiperazin-1-yl]sulfonylisoquinoline dihydrochloride CAS Name: 5-[[(3S)-3-(phenylmethyl)-1-piperazinyl]sulfonyl]isoquinoline dihydrochloride IUPAC Name: 5-[(3S)-3-benzylpiperazin-1-yl]sulfonylisoquinoline dihydrochloride Traditional Name: 5-[(3S)-3-benzylpiperazino]sulfonylisoquinoline dihydrochloride Formula: C20H23Cl2N3O2S MolecularWeight: 440.38652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl.Cl

Isomeric SMILES

C1CN(C[C@@H](N1)CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4.Cl.Cl

InChI

InChI=1S/C20H21N3O2S.2ClH/c24-26(25,20-8-4-7-17-14-21-10-9-19(17)20)23-12-11-22-18(15-23)13-16-5-2-1-3-6-16;;/h1-10,14,18,22H,11-13,15H2;2*1H/t18-;;/m0../s1