ethyl 3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)-4-phenylsulfanyl-butanoate

Systemtic Name: ethyl 3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)-4-phenylsulfanyl-butanoate Openeye Name: ethyl 2-benzyl-4-phenylsulfanyl-3-(p-tolylsulfonylamino)butanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]-2-(phenylmethyl)-4-(phenylthio)butanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-[(4-methylphenyl)sulfonylamino]-4-phenylsulfanylbutanoate Traditional Name: 2-benzyl-4-(phenylthio)-3-(tosylamino)butyric acid ethyl ester Formula: C26H29NO4S2 MolecularWeight: 483.64276

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)C(CSC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)C(CSC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H29NO4S2/c1-3-31-26(28)24(18-21-10-6-4-7-11-21)25(19-32-22-12-8-5-9-13-22)27-33(29,30)23-16-14-20(2)15-17-23/h4-17,24-25,27H,3,18-19H2,1-2H3