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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]ethanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-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-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate Traditional Name: 2-[[(E)-styryl]sulfonylamino]acetic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CNS(=O)(=O)C=CC2=CC=CC=C2)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CNS(=O)(=O)/C=C/C2=CC=CC=C2)C

InChI

InChI=1S/C21H26N2O5S/c1-4-11-23-16(2)13-19(17(23)3)20(24)15-28-21(25)14-22-29(26,27)12-10-18-8-6-5-7-9-18/h5-10,12-13,22H,4,11,14-15H2,1-3H3/b12-10+