[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C24H29NO6S MolecularWeight: 459.55516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C24H29NO6S/c1-3-4-5-19-7-10-20(11-8-19)22(26)17-31-24(27)21-9-6-18(2)23(16-21)32(28,29)25-12-14-30-15-13-25/h6-11,16H,3-5,12-15,17H2,1-2H3