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

Systemtic Name: 4-chloranyl-2-[[4-methyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylcarbamoylamino]benzoic acid Openeye Name: 2-[[3-(benzyloxycarbonylamino)-4-methyl-phenyl]sulfonylcarbamoylamino]-4-chloro-benzoic acid CAS Name: 4-chloro-2-[[[[4-methyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylamino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[4-methyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylcarbamoylamino]benzoic acid Traditional Name: 2-[[3-(benzyloxycarbonylamino)-4-methyl-phenyl]sulfonylcarbamoylamino]-4-chloro-benzoic acid Formula: C23H20ClN3O7S MolecularWeight: 517.9388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20ClN3O7S/c1-14-7-9-17(12-19(14)26-23(31)34-13-15-5-3-2-4-6-15)35(32,33)27-22(30)25-20-11-16(24)8-10-18(20)21(28)29/h2-12H,13H2,1H3,(H,26,31)(H,28,29)(H2,25,27,30)