1-[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloranyl-2-oxidanyl-phenyl]sulfonylpyrrolidine-2-carboxylic acid Openeye Name: 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylpyrrolidine-2-carboxylic acid CAS Name: 1-[3-[[(2-bromoanilino)-oxomethyl]amino]-6-chloro-2-hydroxyphenyl]sulfonyl-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxyphenyl]sulfonylpyrrolidine-2-carboxylic acid Traditional Name: 1-[3-[(2-bromophenyl)carbamoylamino]-6-chloro-2-hydroxy-phenyl]sulfonylproline Formula: C18H17BrClN3O6S MolecularWeight: 518.76608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=CC=CC=C3Br)Cl)C(=O)O

InChI

InChI=1S/C18H17BrClN3O6S/c19-10-4-1-2-5-12(10)21-18(27)22-13-8-7-11(20)16(15(13)24)30(28,29)23-9-3-6-14(23)17(25)26/h1-2,4-5,7-8,14,24H,3,6,9H2,(H,25,26)(H2,21,22,27)