2-azanyl-5-[2,3-bis(bromanyl)propanoylamino]-4-methyl-benzenesulfonic acid

Systemtic Name: 2-azanyl-5-[2,3-bis(bromanyl)propanoylamino]-4-methyl-benzenesulfonic acid Openeye Name: 2-amino-5-(2,3-dibromopropanoylamino)-4-methyl-benzenesulfonic acid CAS Name: 2-amino-5-[(2,3-dibromo-1-oxopropyl)amino]-4-methylbenzenesulfonic acid IUPAC Name: 2-amino-5-(2,3-dibromopropanoylamino)-4-methylbenzenesulfonic acid Traditional Name: 2-amino-5-(2,3-dibromopropanoylamino)-4-methyl-besylic acid Formula: C10H12Br2N2O4S MolecularWeight: 416.08628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C(CBr)Br)S(=O)(=O)O)N

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C(CBr)Br)S(=O)(=O)O)N

InChI

InChI=1S/C10H12Br2N2O4S/c1-5-2-7(13)9(19(16,17)18)3-8(5)14-10(15)6(12)4-11/h2-3,6H,4,13H2,1H3,(H,14,15)(H,16,17,18)