2-piperazin-1-yl-5-propan-2-yl-benzenesulfonic acid

Systemtic Name: 2-piperazin-1-yl-5-propan-2-yl-benzenesulfonic acid Openeye Name: 5-isopropyl-2-piperazin-1-yl-benzenesulfonic acid CAS Name: 2-(1-piperazinyl)-5-propan-2-ylbenzenesulfonic acid IUPAC Name: 2-piperazin-1-yl-5-propan-2-ylbenzenesulfonic acid Traditional Name: 5-isopropyl-2-piperazino-besylic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)N2CCNCC2)S(=O)(=O)O

InChI

InChI=1S/C13H20N2O3S/c1-10(2)11-3-4-12(13(9-11)19(16,17)18)15-7-5-14-6-8-15/h3-4,9-10,14H,5-8H2,1-2H3,(H,16,17,18)