[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C21H26N2O7S MolecularWeight: 450.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)C)C

InChI

InChI=1S/C21H26N2O7S/c1-5-29-16-6-8-17(9-7-16)31(27,28)22-11-10-19(26)30-12-18(25)21-13(2)20(15(4)24)14(3)23-21/h6-9,22-23H,5,10-12H2,1-4H3