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

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 3-(4-morpholin-4-ylsulfonylphenyl)propanoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 3-(4-morpholinosulfonylphenyl)propanoate CAS Name: 3-[4-(4-morpholinylsulfonyl)phenyl]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-morpholin-4-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-morpholinosulfonylphenyl)propionic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C24H32N2O6S MolecularWeight: 476.58568

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C24H32N2O6S/c1-4-11-26-18(2)16-22(19(26)3)23(27)17-32-24(28)10-7-20-5-8-21(9-6-20)33(29,30)25-12-14-31-15-13-25/h5-6,8-9,16H,4,7,10-15,17H2,1-3H3