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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(4-ethoxyphenyl)sulfonylamino]propanoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 3-[(4-ethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-(p-phenetylsulfonylamino)propionic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H30N2O6S MolecularWeight: 450.5484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OCC)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OCC)C

InChI

InChI=1S/C22H30N2O6S/c1-5-13-24-16(3)14-20(17(24)4)21(25)15-30-22(26)11-12-23-31(27,28)19-9-7-18(8-10-19)29-6-2/h7-10,14,23H,5-6,11-13,15H2,1-4H3