[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate

Systemtic Name: [2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate Openeye Name: [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-[[(E)-styryl]sulfonylamino]acetate CAS Name: 2-[[(E)-2-phenylethenyl]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-[[(E)-2-phenylethenyl]sulfonylamino]acetate Traditional Name: 2-[[(E)-styryl]sulfonylamino]acetic acid [2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CNS(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O5S/c1-15(2)23-16(3)12-19(17(23)4)20(24)14-28-21(25)13-22-29(26,27)11-10-18-8-6-5-7-9-18/h5-12,15,22H,13-14H2,1-4H3/b11-10+