[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-15-4-5-16(2)19(12-15)22(26)30-14-21(25)23-18-7-6-17(3)20(13-18)31(27,28)24-8-10-29-11-9-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,25)