[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 4-morpholin-4-ylsulfonylbenzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] 4-morpholinosulfonylbenzoate CAS Name: 4-(4-morpholinylsulfonyl)benzoic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-morpholinosulfonylbenzoic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C21H24N2O6S/c1-15-11-16(2)13-18(12-15)22-20(24)14-29-21(25)17-3-5-19(6-4-17)30(26,27)23-7-9-28-10-8-23/h3-6,11-13H,7-10,14H2,1-2H3,(H,22,24)