[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)C

InChI

InChI=1S/C20H26N2O5S/c1-6-21-15(3)11-17(16(21)4)19(23)13-27-20(24)12-22(28(5,25)26)18-10-8-7-9-14(18)2/h7-11H,6,12-13H2,1-5H3