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

Systemtic Name: 3-[4-(4-butoxycarbonylphenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-butoxycarbonylphenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[4-[butoxy(oxo)methyl]phenyl]-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-butoxycarbonylphenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-butoxycarbonylphenyl)piperazino]propane-1-sulfonic acid Formula: C18H28N2O5S MolecularWeight: 384.49032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCS(=O)(=O)O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2CCN(CC2)CCCS(=O)(=O)O

InChI

InChI=1S/C18H28N2O5S/c1-2-3-14-25-18(21)16-5-7-17(8-6-16)20-12-10-19(11-13-20)9-4-15-26(22,23)24/h5-8H,2-4,9-15H2,1H3,(H,22,23,24)