ethyl 3-chloranyl-4-[2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[methylsulfonyl-(4-morpholin-4-ylcarbonylphenyl)amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-[N-methylsulfonyl-4-[4-morpholinyl(oxo)methyl]anilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-[N-methylsulfonyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-[N-mesyl-4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzoic acid ethyl ester Formula: C23H26ClN3O7S MolecularWeight: 523.98644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26ClN3O7S/c1-3-34-23(30)17-6-9-20(19(24)14-17)25-21(28)15-27(35(2,31)32)18-7-4-16(5-8-18)22(29)26-10-12-33-13-11-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,25,28)