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

Systemtic Name: [2-[2,5-dimethyl-1-(3-morpholin-4-ylsulfonylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] pentanoate Openeye Name: [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-oxo-ethyl] pentanoate CAS Name: pentanoic 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] pentanoate Traditional Name: valeric acid [2-[2,5-dimethyl-1-(3-morpholinosulfonylphenyl)pyrrol-3-yl]-2-keto-ethyl] ester Formula: C23H30N2O6S MolecularWeight: 462.5591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O6S/c1-4-5-9-23(27)31-16-22(26)21-14-17(2)25(18(21)3)19-7-6-8-20(15-19)32(28,29)24-10-12-30-13-11-24/h6-8,14-15H,4-5,9-13,16H2,1-3H3