ethyl carbonochloridate; ethyl [ethylcarbamoyl-(4-methylsulfonylphenyl)amino] carbonate

Systemtic Name: ethyl carbonochloridate; ethyl [ethylcarbamoyl-(4-methylsulfonylphenyl)amino] carbonate Openeye Name: ethyl carbonochloridate; ethyl [N-(ethylcarbamoyl)-4-methylsulfonyl-anilino] carbonate CAS Name: carbonic acid ethyl [N-(ethylcarbamoyl)-4-methylsulfonylanilino] ester; carbonochloridic acid ethyl ester IUPAC Name: ethyl carbonochloridate; ethyl [N-(ethylcarbamoyl)-4-methylsulfonylanilino] carbonate Traditional Name: carbonic acid ethyl [N-(ethylcarbamoyl)-4-mesyl-anilino] ester; chlorocarbonic acid ethyl ester Formula: C16H23ClN2O8S MolecularWeight: 438.88042

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N(C1=CC=C(C=C1)S(=O)(=O)C)OC(=O)OCC.CCOC(=O)Cl

Isomeric SMILES

CCNC(=O)N(C1=CC=C(C=C1)S(=O)(=O)C)OC(=O)OCC.CCOC(=O)Cl

InChI

InChI=1S/C13H18N2O6S.C3H5ClO2/c1-4-14-12(16)15(21-13(17)20-5-2)10-6-8-11(9-7-10)22(3,18)19;1-2-6-3(4)5/h6-9H,4-5H2,1-3H3,(H,14,16);2H2,1H3