[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)OC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H24N2O8S2/c1-15(31-21(25)16-6-8-18(9-7-16)32(2,26)27)20(24)22-17-4-3-5-19(14-17)33(28,29)23-10-12-30-13-11-23/h3-9,14-15H,10-13H2,1-2H3,(H,22,24)