ethyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 3-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 3-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 3-[2-(3-chloro-N-mesyl-4-methoxy-anilino)propanoylamino]benzoic acid ethyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O6S/c1-5-29-20(25)14-7-6-8-15(11-14)22-19(24)13(2)23(30(4,26)27)16-9-10-18(28-3)17(21)12-16/h6-13H,5H2,1-4H3,(H,22,24)