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

Systemtic Name: 3-[4-(4-tert-butylphenyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-tert-butylphenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-(4-tert-butylphenyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(4-tert-butylphenyl)piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-tert-butylphenyl)piperazino]propane-1-sulfonic acid Formula: C17H28N2O3S MolecularWeight: 340.48082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N2O3S/c1-17(2,3)15-5-7-16(8-6-15)19-12-10-18(11-13-19)9-4-14-23(20,21)22/h5-8H,4,9-14H2,1-3H3,(H,20,21,22)