1-(4-nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate

Systemtic Name: 1-(4-nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate Openeye Name: 1-(4-nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonyl-carbamate CAS Name: N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamic acid 1-(4-nitrophenyl)ethyl ester IUPAC Name: 1-(4-nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate Traditional Name: N-[2-chloroethyl(mesyl)amino]-N-mesyl-carbamic acid 1-(4-nitrophenyl)ethyl ester Formula: C13H18ClN3O8S2 MolecularWeight: 443.88032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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