2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoic acid

Systemtic Name: 2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoic acid Openeye Name: 2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanyl-butanoic acid CAS Name: 2-[(4-bromophenyl)sulfonylamino]-4-(ethylthio)butanoic acid IUPAC Name: 2-[(4-bromophenyl)sulfonylamino]-4-ethylsulfanylbutanoic acid Traditional Name: 2-(brosylamino)-4-(ethylthio)butyric acid Formula: C12H16BrNO4S2 MolecularWeight: 382.29374

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C12H16BrNO4S2/c1-2-19-8-7-11(12(15)16)14-20(17,18)10-5-3-9(13)4-6-10/h3-6,11,14H,2,7-8H2,1H3,(H,15,16)