4-[[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylamino]butanoic acid Openeye Name: 4-[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylamino]butanoic acid CAS Name: 4-[[3-[[(2-bromoanilino)-oxomethyl]amino]-6-chloro-2-hydroxyphenyl]sulfonylamino]butanoic acid IUPAC Name: 4-[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxyphenyl]sulfonylamino]butanoic acid Traditional Name: 4-[[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylamino]butyric acid Formula: C17H17BrClN3O6S MolecularWeight: 506.75538

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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)NCCCC(=O)O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN3O6S/c18-10-4-1-2-5-12(10)21-17(26)22-13-8-7-11(19)16(15(13)25)29(27,28)20-9-3-6-14(23)24/h1-2,4-5,7-8,20,25H,3,6,9H2,(H,23,24)(H2,21,22,26)