1-(3-nitro-4-phosphonooxy-phenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate

Systemtic Name: 1-(3-nitro-4-phosphonooxy-phenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate Openeye Name: 1-(3-nitro-4-phosphonooxy-phenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate CAS Name: N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamic acid 1-(3-nitro-4-phosphonooxyphenyl)ethyl ester IUPAC Name: 1-(3-nitro-4-phosphonooxyphenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate Traditional Name: N-[2-chloroethyl(mesyl)amino]-N-mesyl-carbamic acid 1-(3-nitro-4-phosphonooxy-phenyl)ethyl ester Formula: C13H19ClN3O12PS2 MolecularWeight: 539.859621

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)OP(=O)(O)O)[N+](=O)[O-])OC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC(=C(C=C1)OP(=O)(O)O)[N+](=O)[O-])OC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C13H19ClN3O12PS2/c1-9(10-4-5-12(29-30(21,22)23)11(8-10)17(19)20)28-13(18)16(32(3,26)27)15(7-6-14)31(2,24)25/h4-5,8-9H,6-7H2,1-3H3,(H2,21,22,23)