[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C28H29NO6S MolecularWeight: 507.59796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C28H29NO6S/c1-19-4-9-22(10-5-19)26(30)27(23-11-6-20(2)7-12-23)35-28(31)24-13-8-21(3)25(18-24)36(32,33)29-14-16-34-17-15-29/h4-13,18,27H,14-17H2,1-3H3