(4,5-dimethoxy-2-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate

Systemtic Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate Openeye Name: (4,5-dimethoxy-2-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate CAS Name: N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamic acid (4,5-dimethoxy-2-nitrophenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-nitrophenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate Traditional Name: N-[2-chloroethyl(mesyl)amino]-N-mesyl-carbamic acid (4,5-dimethoxy-2-nitro-benzyl) ester Formula: C14H20ClN3O10S2 MolecularWeight: 489.9057

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)COC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)COC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C)[N+](=O)[O-])OC

InChI

InChI=1S/C14H20ClN3O10S2/c1-26-12-7-10(11(18(20)21)8-13(12)27-2)9-28-14(19)17(30(4,24)25)16(6-5-15)29(3,22)23/h7-8H,5-6,9H2,1-4H3