methyl 3-(phenylmethylsulfanyl)-2-[(4-phenylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl 3-(phenylmethylsulfanyl)-2-[(4-phenylphenyl)sulfonylamino]propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(4-phenylphenyl)sulfonylamino]propanoate CAS Name: 3-(phenylmethylthio)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-phenylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-phenylphenyl)sulfonylamino]propionic acid methyl ester Formula: C23H23NO4S2 MolecularWeight: 441.56302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CSCC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H23NO4S2/c1-28-23(25)22(17-29-16-18-8-4-2-5-9-18)24-30(26,27)21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15,22,24H,16-17H2,1H3