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

Systemtic Name: ethyl 2-[(4-pentylphenyl)sulfonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[(4-pentylphenyl)sulfonylamino]propanoate CAS Name: 2-[(4-pentylphenyl)sulfonylamino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[(4-pentylphenyl)sulfonylamino]propanoate Traditional Name: 2-[(4-amylphenyl)sulfonylamino]-3-(benzylthio)propionic acid ethyl ester Formula: C23H31NO4S2 MolecularWeight: 449.62654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H31NO4S2/c1-3-5-7-10-19-13-15-21(16-14-19)30(26,27)24-22(23(25)28-4-2)18-29-17-20-11-8-6-9-12-20/h6,8-9,11-16,22,24H,3-5,7,10,17-18H2,1-2H3