2-(aminomethyl)-4-butan-2-yl-6-methylsulfonyl-phenol hydrochloride

Systemtic Name: 2-(aminomethyl)-4-butan-2-yl-6-methylsulfonyl-phenol hydrochloride Openeye Name: 2-(aminomethyl)-6-methylsulfonyl-4-sec-butyl-phenol hydrochloride CAS Name: 2-(aminomethyl)-4-butan-2-yl-6-methylsulfonylphenol hydrochloride IUPAC Name: 2-(aminomethyl)-4-butan-2-yl-6-methylsulfonylphenol hydrochloride Traditional Name: 2-(aminomethyl)-6-mesyl-4-sec-butyl-phenol hydrochloride Formula: C12H20ClNO3S MolecularWeight: 293.8101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)S(=O)(=O)C)O)CN.Cl

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)S(=O)(=O)C)O)CN.Cl

InChI

InChI=1S/C12H19NO3S.ClH/c1-4-8(2)9-5-10(7-13)12(14)11(6-9)17(3,15)16;/h5-6,8,14H,4,7,13H2,1-3H3;1H