3-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(4-isobutylphenyl)piperazin-1-yl]propane-1-sulfonic acid CAS Name: 3-[4-[4-(2-methylpropyl)phenyl]-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(4-isobutylphenyl)piperazino]propane-1-sulfonic acid Formula: C17H28N2O3S MolecularWeight: 340.48082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)N2CCN(CC2)CCCS(=O)(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)N2CCN(CC2)CCCS(=O)(=O)O

InChI

InChI=1S/C17H28N2O3S/c1-15(2)14-16-4-6-17(7-5-16)19-11-9-18(10-12-19)8-3-13-23(20,21)22/h4-7,15H,3,8-14H2,1-2H3,(H,20,21,22)