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

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C23H28N2O8S2 MolecularWeight: 524.60702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O8S2/c1-17-3-7-20(8-4-17)34(28,29)14-9-23(27)33-16-22(26)24-19-6-5-18(2)21(15-19)35(30,31)25-10-12-32-13-11-25/h3-8,15H,9-14,16H2,1-2H3,(H,24,26)