(2R)-4-azanyl-2-(phenylmethylsulfanyl)butan-1-ol; 4-methylbenzenesulfonic acid

Systemtic Name: (2R)-4-azanyl-2-(phenylmethylsulfanyl)butan-1-ol; 4-methylbenzenesulfonic acid Openeye Name: (2R)-4-amino-2-benzylsulfanyl-butan-1-ol; 4-methylbenzenesulfonic acid CAS Name: (2R)-4-amino-2-(phenylmethylthio)-1-butanol; 4-methylbenzenesulfonic acid IUPAC Name: (2R)-4-amino-2-benzylsulfanylbutan-1-ol; 4-methylbenzenesulfonic acid Traditional Name: (2R)-4-amino-2-(benzylthio)butan-1-ol; tosylic acid Formula: C18H25NO4S2 MolecularWeight: 383.5254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CSC(CCN)CO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CS[C@H](CCN)CO

InChI

InChI=1S/C11H17NOS.C7H8O3S/c12-7-6-11(8-13)14-9-10-4-2-1-3-5-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,11,13H,6-9,12H2;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1