[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(4-cyclohexylphenyl)-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-(4-cyclohexylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-cyclohexylphenyl)-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(4-cyclohexylphenyl)-2-keto-ethyl] ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)COC(=O)CCNS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H25NO5S2/c23-19(18-10-8-17(9-11-18)16-5-2-1-3-6-16)15-27-20(24)12-13-22-29(25,26)21-7-4-14-28-21/h4,7-11,14,16,22H,1-3,5-6,12-13,15H2