[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Openeye Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-[(4-isopropylphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoic acid [2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 3-[(4-propan-2-ylphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-cumenylsulfonylamino)propionic acid [2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H28N2O5S/c1-14(2)17-6-8-18(9-7-17)29(26,27)22-11-10-21(25)28-13-20(24)19-12-15(3)23(5)16(19)4/h6-9,12,14,22H,10-11,13H2,1-5H3