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

Systemtic Name: (5-chloranyl-2-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate Openeye Name: (5-chloro-2-nitro-phenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate CAS Name: N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamic acid (5-chloro-2-nitrophenyl)methyl ester IUPAC Name: (5-chloro-2-nitrophenyl)methyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate Traditional Name: N-[2-chloroethyl(mesyl)amino]-N-mesyl-carbamic acid (5-chloro-2-nitro-benzyl) ester Formula: C12H15Cl2N3O8S2 MolecularWeight: 464.2988

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CCCl)N(C(=O)OCC1=C(C=CC(=C1)Cl)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CS(=O)(=O)N(CCCl)N(C(=O)OCC1=C(C=CC(=C1)Cl)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C12H15Cl2N3O8S2/c1-26(21,22)15(6-5-13)16(27(2,23)24)12(18)25-8-9-7-10(14)3-4-11(9)17(19)20/h3-4,7H,5-6,8H2,1-2H3