(3-methoxy-4-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate

Systemtic Name: (3-methoxy-4-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate Openeye Name: (3-methoxy-4-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate CAS Name: N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamic acid (3-methoxy-4-nitrophenyl)methyl ester IUPAC Name: (3-methoxy-4-nitrophenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate Traditional Name: N-[2-chloroethyl(mesyl)amino]-N-mesyl-carbamic acid (3-methoxy-4-nitro-benzyl) ester Formula: C13H18ClN3O9S2 MolecularWeight: 459.87972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O9S2/c1-25-12-8-10(4-5-11(12)17(19)20)9-26-13(18)16(28(3,23)24)15(7-6-14)27(2,21)22/h4-5,8H,6-7,9H2,1-3H3