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

Systemtic Name: (5-methyl-2-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate Openeye Name: (5-methyl-2-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate CAS Name: N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamic acid (5-methyl-2-nitrophenyl)methyl ester IUPAC Name: (5-methyl-2-nitrophenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate Traditional Name: N-[2-chloroethyl(mesyl)amino]-N-mesyl-carbamic acid (5-methyl-2-nitro-benzyl) ester Formula: C13H18ClN3O8S2 MolecularWeight: 443.88032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)[N+](=O)[O-])COC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)[N+](=O)[O-])COC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C13H18ClN3O8S2/c1-10-4-5-12(17(19)20)11(8-10)9-25-13(18)16(27(3,23)24)15(7-6-14)26(2,21)22/h4-5,8H,6-7,9H2,1-3H3