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

Systemtic Name: 3-[4-[2-(4-ethoxycarbonylphenyl)ethyl]piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-[2-(4-ethoxycarbonylphenyl)ethyl]piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[2-(4-ethoxycarbonylphenyl)ethyl]-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[2-(4-ethoxycarbonylphenyl)ethyl]piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-[2-(4-carbethoxyphenyl)ethyl]piperazino]propane-1-sulfonic acid Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)CCCS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCN2CCN(CC2)CCCS(=O)(=O)O

InChI

InChI=1S/C18H28N2O5S/c1-2-25-18(21)17-6-4-16(5-7-17)8-10-20-13-11-19(12-14-20)9-3-15-26(22,23)24/h4-7H,2-3,8-15H2,1H3,(H,22,23,24)