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

Systemtic Name: 3-[4-(4-ethanoylphenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(4-acetylphenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-acetylphenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-acetylphenyl)piperazino]propane-1-sulfonic acid Formula: C15H22N2O4S MolecularWeight: 326.41118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O4S/c1-13(18)14-3-5-15(6-4-14)17-10-8-16(9-11-17)7-2-12-22(19,20)21/h3-6H,2,7-12H2,1H3,(H,19,20,21)