ethyl 2-[(4-butoxyphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[(4-butoxyphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-butoxyphenyl)sulfonylamino]propanoate CAS Name: 2-[(4-butoxyphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-butoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(benzylthio)-2-[(4-butoxyphenyl)sulfonylamino]propionic acid ethyl ester Formula: C22H29NO5S2 MolecularWeight: 451.59936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C22H29NO5S2/c1-3-5-15-28-19-11-13-20(14-12-19)30(25,26)23-21(22(24)27-4-2)17-29-16-18-9-7-6-8-10-18/h6-14,21,23H,3-5,15-17H2,1-2H3