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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CN(C2=CC=CC=C2C)S(=O)(=O)C)C

InChI

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