[2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)sulfonylamino]ethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-(p-tolylsulfonylamino)acetate CAS Name: 2-[(4-methylphenyl)sulfonylamino]acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-(tosylamino)acetic acid [2-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5S/c1-5-10-22-15(3)11-18(16(22)4)19(23)13-27-20(24)12-21-28(25,26)17-8-6-14(2)7-9-17/h5-9,11,21H,1,10,12-13H2,2-4H3