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methyl 3-(phenylmethylsulfanyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

methyl 3-(phenylmethylsulfanyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

Systemtic Name:methyl 3-(phenylmethylsulfanyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
Openeye Name:methyl 3-benzylsulfanyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
CAS Name:3-(phenylmethylthio)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid methyl ester
IUPAC Name:methyl 3-benzylsulfanyl-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate
Traditional Name:3-(benzylthio)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propionic acid methyl ester
Formula: C21H27NO4S2
MolecularWeight: 421.57338
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)C)C


Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC)C)C


InChI

InChI=1S/C21H27NO4S2/c1-14-11-15(2)17(4)20(16(14)3)28(24,25)22-19(21(23)26-5)13-27-12-18-9-7-6-8-10-18/h6-11,19,22H,12-13H2,1-5H3


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