4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanyl-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: 4-methylbenzenesulfonic acid; (phenylmethyl) 2-azanyl-3-(phenylmethylsulfanyl)propanoate Openeye Name: benzyl 2-amino-3-benzylsulfanyl-propanoate; 4-methylbenzenesulfonic acid CAS Name: 2-amino-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester; 4-methylbenzenesulfonic acid IUPAC Name: benzyl 2-amino-3-benzylsulfanylpropanoate; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-3-(benzylthio)propionic acid benzyl ester; tosylic acid Formula: C24H27NO5S2 MolecularWeight: 473.60488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CSCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CSCC2=CC=CC=C2)N

InChI

InChI=1S/C17H19NO2S.C7H8O3S/c18-16(13-21-12-15-9-5-2-6-10-15)17(19)20-11-14-7-3-1-4-8-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,16H,11-13,18H2;2-5H,1H3,(H,8,9,10)