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

Systemtic Name: methyl 2-[(4-tert-butylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 3-benzylsulfanyl-2-[(4-tert-butylphenyl)sulfonylamino]propanoate CAS Name: 2-[(4-tert-butylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-benzylsulfanyl-2-[(4-tert-butylphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-tert-butylphenyl)sulfonylamino]propionic acid methyl ester Formula: C21H27NO4S2 MolecularWeight: 421.57338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H27NO4S2/c1-21(2,3)17-10-12-18(13-11-17)28(24,25)22-19(20(23)26-4)15-27-14-16-8-6-5-7-9-16/h5-13,19,22H,14-15H2,1-4H3