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

Systemtic Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(3-methoxyphenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(3-methoxyphenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(3-methoxyphenyl)piperazino]propane-1-sulfonic acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CCCS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CCCS(=O)(=O)O

InChI

InChI=1S/C14H22N2O4S/c1-20-14-5-2-4-13(12-14)16-9-7-15(8-10-16)6-3-11-21(17,18)19/h2,4-5,12H,3,6-11H2,1H3,(H,17,18,19)