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

Systemtic Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[methyl(o-tolylmethyl)amino]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-2-[methyl-(2-methylbenzyl)amino]ethyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=CC=C2C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N(C)CC2=CC=CC=C2C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H28N2O6S/c1-17-6-4-5-7-20(17)15-24(3)22(26)16-31-23(27)19-9-8-18(2)21(14-19)32(28,29)25-10-12-30-13-11-25/h4-9,14H,10-13,15-16H2,1-3H3