[2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate

Systemtic Name: [2-[(3-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethylbenzoate Openeye Name: [2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [2-[3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [2-keto-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C

InChI

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