3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoic acid Openeye Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoic acid CAS Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoic acid Traditional Name: 3-[[2-(brosylamino)-4-(methylthio)butanoyl]amino]benzoic acid Formula: C18H19BrN2O5S2 MolecularWeight: 487.38786

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CSCCC(C(=O)NC1=CC=CC(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O5S2/c1-27-10-9-16(21-28(25,26)15-7-5-13(19)6-8-15)17(22)20-14-4-2-3-12(11-14)18(23)24/h2-8,11,16,21H,9-10H2,1H3,(H,20,22)(H,23,24)