methyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate CAS Name: 4-[[2-[N-methylsulfonyl-4-[4-morpholinyl(oxo)methyl]anilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate Traditional Name: 4-[[2-[N-mesyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoic acid methyl ester Formula: C22H25N3O7S MolecularWeight: 475.5148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O7S/c1-31-22(28)17-3-7-18(8-4-17)23-20(26)15-25(33(2,29)30)19-9-5-16(6-10-19)21(27)24-11-13-32-14-12-24/h3-10H,11-15H2,1-2H3,(H,23,26)