4-(3,3-dimethylpiperidin-1-yl)benzenesulfonic acid

Systemtic Name: 4-(3,3-dimethylpiperidin-1-yl)benzenesulfonic acid Openeye Name: 4-(3,3-dimethyl-1-piperidyl)benzenesulfonic acid CAS Name: 4-(3,3-dimethyl-1-piperidinyl)benzenesulfonic acid IUPAC Name: 4-(3,3-dimethylpiperidin-1-yl)benzenesulfonic acid Traditional Name: 4-(3,3-dimethylpiperidino)besylic acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C2=CC=C(C=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1(CCCN(C1)C2=CC=C(C=C2)S(=O)(=O)O)C

InChI

InChI=1S/C13H19NO3S/c1-13(2)8-3-9-14(10-13)11-4-6-12(7-5-11)18(15,16)17/h4-7H,3,8-10H2,1-2H3,(H,15,16,17)