3-[[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylamino]propanoic acid Openeye Name: 3-[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylamino]propanoic acid CAS Name: 3-[[3-[[(2-bromoanilino)-oxomethyl]amino]-6-chloro-2-hydroxyphenyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxyphenyl]sulfonylamino]propanoic acid Traditional Name: 3-[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylamino]propionic acid Formula: C16H15BrClN3O6S MolecularWeight: 492.7288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)NCCC(=O)O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)NCCC(=O)O)O)Br

InChI

InChI=1S/C16H15BrClN3O6S/c17-9-3-1-2-4-11(9)20-16(25)21-12-6-5-10(18)15(14(12)24)28(26,27)19-8-7-13(22)23/h1-6,19,24H,7-8H2,(H,22,23)(H2,20,21,25)