[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 3-[(3-chloranyl-4-fluoranyl-phenyl)sulfonylamino]propanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propanoate CAS Name: 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 3-[(3-chloro-4-fluorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-chloro-4-fluoro-phenyl)sulfonylamino]propionic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C17H22ClFN2O5S MolecularWeight: 420.883383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C17H22ClFN2O5S/c18-14-10-13(6-7-15(14)19)27(24,25)20-9-8-17(23)26-11-16(22)21-12-4-2-1-3-5-12/h6-7,10,12,20H,1-5,8-9,11H2,(H,21,22)