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

Systemtic Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[2,5-dimethyl-1-[3-(4-morpholinylsulfonyl)phenyl]-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CCCC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C22H28N2O6S/c1-4-6-22(26)30-15-21(25)20-13-16(2)24(17(20)3)18-7-5-8-19(14-18)31(27,28)23-9-11-29-12-10-23/h5,7-8,13-14H,4,6,9-12,15H2,1-3H3