3-[4-(2-ethoxyphenyl)piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-(4-o-phenetylpiperazino)propane-1-sulfonic acid Formula: C15H24N2O4S MolecularWeight: 328.42706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CCCS(=O)(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CCCS(=O)(=O)O

InChI

InChI=1S/C15H24N2O4S/c1-2-21-15-7-4-3-6-14(15)17-11-9-16(10-12-17)8-5-13-22(18,19)20/h3-4,6-7H,2,5,8-13H2,1H3,(H,18,19,20)