5-(3-bromanylpropanoylamino)-2-methyl-benzenesulfonic acid

Systemtic Name: 5-(3-bromanylpropanoylamino)-2-methyl-benzenesulfonic acid Openeye Name: 5-(3-bromopropanoylamino)-2-methyl-benzenesulfonic acid CAS Name: 5-[(3-bromo-1-oxopropyl)amino]-2-methylbenzenesulfonic acid IUPAC Name: 5-(3-bromopropanoylamino)-2-methylbenzenesulfonic acid Traditional Name: 5-(3-bromopropanoylamino)-2-methyl-besylic acid Formula: C10H12BrNO4S MolecularWeight: 322.17558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCBr)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCBr)S(=O)(=O)O

InChI

InChI=1S/C10H12BrNO4S/c1-7-2-3-8(12-10(13)4-5-11)6-9(7)17(14,15)16/h2-3,6H,4-5H2,1H3,(H,12,13)(H,14,15,16)