4-chloranyl-2-[[4-chloranyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylcarbamoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[[4-chloranyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylcarbamoylamino]benzoic acid Openeye Name: 2-[[3-(benzyloxycarbonylamino)-4-chloro-phenyl]sulfonylcarbamoylamino]-4-chloro-benzoic acid CAS Name: 4-chloro-2-[[[[4-chloro-3-(phenylmethoxycarbonylamino)phenyl]sulfonylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[4-chloro-3-(phenylmethoxycarbonylamino)phenyl]sulfonylcarbamoylamino]benzoic acid Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-chloro-phenyl]sulfonylcarbamoylamino]-4-chloro-benzoic acid Formula: C22H17Cl2N3O7S MolecularWeight: 538.35728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(C=CC(=C2)S(=O)(=O)NC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O)Cl

InChI

InChI=1S/C22H17Cl2N3O7S/c23-14-6-8-16(20(28)29)18(10-14)25-21(30)27-35(32,33)15-7-9-17(24)19(11-15)26-22(31)34-12-13-4-2-1-3-5-13/h1-11H,12H2,(H,26,31)(H,28,29)(H2,25,27,30)