[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-cyclohexylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl] 3-cyclohexylpropanoate Openeye Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-cyclohexylpropanoate CAS Name: 3-cyclohexylpropanoic acid [2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl] 3-cyclohexylpropanoate Traditional Name: 3-cyclohexylpropionic acid [2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

C1CCC(CC1)CCC(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H30N2O5S/c24-20(16-28-21(25)12-11-17-7-2-1-3-8-17)22-18-9-6-10-19(15-18)29(26,27)23-13-4-5-14-23/h6,9-10,15,17H,1-5,7-8,11-14,16H2,(H,22,24)