[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 4-butylbenzoate

Systemtic Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxidanylidene-ethyl] 4-butylbenzoate Openeye Name: [2-(4-morpholinosulfonylphenyl)-2-oxo-ethyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [2-[4-(4-morpholinylsulfonyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [2-keto-2-(4-morpholinosulfonylphenyl)ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO6S/c1-2-3-4-18-5-7-20(8-6-18)23(26)30-17-22(25)19-9-11-21(12-10-19)31(27,28)24-13-15-29-16-14-24/h5-12H,2-4,13-17H2,1H3