[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]propanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H31N3O7S/c26-20(24-22(28)23-18-4-2-1-3-5-18)16-32-21(27)11-8-17-6-9-19(10-7-17)33(29,30)25-12-14-31-15-13-25/h6-7,9-10,18H,1-5,8,11-16H2,(H2,23,24,26,28)