[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H26N2O6S/c1-3-4-21(26)24-18-9-7-17(8-10-18)20(25)15-30-22(27)13-14-23-31(28,29)19-11-5-16(2)6-12-19/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,26)