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

Systemtic Name: [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate Openeye Name: [2-(2,5-dimethyl-1-phenethyl-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-phenethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate Traditional Name: 2-[[(E)-styryl]sulfonylamino]acetic acid [2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)CNS(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)COC(=O)CNS(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H28N2O5S/c1-20-17-24(21(2)28(20)15-13-22-9-5-3-6-10-22)25(29)19-33-26(30)18-27-34(31,32)16-14-23-11-7-4-8-12-23/h3-12,14,16-17,27H,13,15,18-19H2,1-2H3/b16-14+