ethyl 2-chloranyl-4-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-[(4-methoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[2-(4-methoxy-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 2-chloro-4-[[2-(4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[2-(4-methoxy-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 2-chloro-4-[2-(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=C(C=C(C=C1)NC(=O)C(C)N(C2=CC=C(C=C2)OC)S(=O)(=O)C)Cl

Isomeric SMILES

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

InChI

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