methyl N-[N'-[2-(3-bromophenyl)-2-methylsulfonyl-ethyl]carbamimidoyl]carbamate

Systemtic Name: methyl N-[N'-[2-(3-bromophenyl)-2-methylsulfonyl-ethyl]carbamimidoyl]carbamate Openeye Name: methyl N-[N'-[2-(3-bromophenyl)-2-methylsulfonyl-ethyl]carbamimidoyl]carbamate CAS Name: N-[amino-[2-(3-bromophenyl)-2-methylsulfonylethyl]iminomethyl]carbamic acid methyl ester IUPAC Name: methyl N-[N'-[2-(3-bromophenyl)-2-methylsulfonylethyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[2-(3-bromophenyl)-2-mesyl-ethyl]amidino]carbamic acid methyl ester Formula: C12H16BrN3O4S MolecularWeight: 378.24214

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=NCC(C1=CC(=CC=C1)Br)S(=O)(=O)C)N

Isomeric SMILES

COC(=O)NC(=NCC(C1=CC(=CC=C1)Br)S(=O)(=O)C)N

InChI

InChI=1S/C12H16BrN3O4S/c1-20-12(17)16-11(14)15-7-10(21(2,18)19)8-4-3-5-9(13)6-8/h3-6,10H,7H2,1-2H3,(H3,14,15,16,17)