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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OC

InChI

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