methyl 2,5-bis(azanyl)-5-(4-bromophenyl)sulfonyl-pentanoate

Systemtic Name: methyl 2,5-bis(azanyl)-5-(4-bromophenyl)sulfonyl-pentanoate Openeye Name: methyl 2,5-diamino-5-(4-bromophenyl)sulfonyl-pentanoate CAS Name: 2,5-diamino-5-(4-bromophenyl)sulfonylpentanoic acid methyl ester IUPAC Name: methyl 2,5-diamino-5-(4-bromophenyl)sulfonylpentanoate Traditional Name: 2,5-diamino-5-brosyl-valeric acid methyl ester Formula: C12H17BrN2O4S MolecularWeight: 365.24338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(N)S(=O)(=O)C1=CC=C(C=C1)Br)N

Isomeric SMILES

COC(=O)C(CCC(N)S(=O)(=O)C1=CC=C(C=C1)Br)N

InChI

InChI=1S/C12H17BrN2O4S/c1-19-12(16)10(14)6-7-11(15)20(17,18)9-4-2-8(13)3-5-9/h2-5,10-11H,6-7,14-15H2,1H3