[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H28N4O7S MolecularWeight: 468.52392

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C20H28N4O7S/c1-14(25)22-16-7-9-17(10-8-16)32(29,30)21-12-11-19(27)31-13-18(26)24-20(28)23-15-5-3-2-4-6-15/h7-10,15,21H,2-6,11-13H2,1H3,(H,22,25)(H2,23,24,26,28)