[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H27NO6S MolecularWeight: 445.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C)C

InChI

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