[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[methyl(p-tolylsulfonyl)amino]acetate CAS Name: 2-[methyl-(4-methylphenyl)sulfonylamino]acetic acid [2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl] 2-[methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[methyl(tosyl)amino]acetic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)C)C

InChI

InChI=1S/C21H28N2O5S/c1-14(2)23-16(4)11-19(17(23)5)20(24)13-28-21(25)12-22(6)29(26,27)18-9-7-15(3)8-10-18/h7-11,14H,12-13H2,1-6H3