6-[4-(phenylmethyl)piperazin-1-yl]hexane-1-sulfonic acid

Systemtic Name: 6-[4-(phenylmethyl)piperazin-1-yl]hexane-1-sulfonic acid Openeye Name: 6-(4-benzylpiperazin-1-yl)hexane-1-sulfonic acid CAS Name: 6-[4-(phenylmethyl)-1-piperazinyl]-1-hexanesulfonic acid IUPAC Name: 6-(4-benzylpiperazin-1-yl)hexane-1-sulfonic acid Traditional Name: 6-(4-benzylpiperazino)hexane-1-sulfonic acid Formula: C17H28N2O3S MolecularWeight: 340.48082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCS(=O)(=O)O)CC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1CCCCCCS(=O)(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C17H28N2O3S/c20-23(21,22)15-7-2-1-6-10-18-11-13-19(14-12-18)16-17-8-4-3-5-9-17/h3-5,8-9H,1-2,6-7,10-16H2,(H,20,21,22)