2-methylsulfonylethyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate

Systemtic Name: 2-methylsulfonylethyl 3-[[5-(2-chloranyl-4-methylsulfonyl-phenoxy)-2-nitro-phenyl]amino]propanoate Openeye Name: 2-methylsulfonylethyl 3-[5-(2-chloro-4-methylsulfonyl-phenoxy)-2-nitro-anilino]propanoate CAS Name: 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoic acid 2-methylsulfonylethyl ester IUPAC Name: 2-methylsulfonylethyl 3-[5-(2-chloro-4-methylsulfonylphenoxy)-2-nitroanilino]propanoate Traditional Name: 3-[5-(2-chloro-4-mesyl-phenoxy)-2-nitro-anilino]propionic acid 2-mesylethyl ester Formula: C19H21ClN2O9S2 MolecularWeight: 520.96104

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCOC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)CCOC(=O)CCNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)S(=O)(=O)C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClN2O9S2/c1-32(26,27)10-9-30-19(23)7-8-21-16-11-13(3-5-17(16)22(24)25)31-18-6-4-14(12-15(18)20)33(2,28)29/h3-6,11-12,21H,7-10H2,1-2H3