4-(4-methylpiperidin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(4-methylpiperidin-1-yl)benzenesulfonic acid Openeye Name: 4-(4-methyl-1-piperidyl)benzenesulfonic acid CAS Name: 4-(4-methyl-1-piperidinyl)benzenesulfonic acid IUPAC Name: 4-(4-methylpiperidin-1-yl)benzenesulfonic acid Traditional Name: 4-(4-methylpiperidino)besylic acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1CCN(CC1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H17NO3S/c1-10-6-8-13(9-7-10)11-2-4-12(5-3-11)17(14,15)16/h2-5,10H,6-9H2,1H3,(H,14,15,16)