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

Systemtic Name: 2-azanyl-4-chloranyl-3-[[4-methyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylcarbamoyl]benzoic acid Openeye Name: 2-amino-3-[[3-(benzyloxycarbonylamino)-4-methyl-phenyl]sulfonylcarbamoyl]-4-chloro-benzoic acid CAS Name: 2-amino-4-chloro-3-[[[4-methyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylamino]-oxomethyl]benzoic acid IUPAC Name: 2-amino-4-chloro-3-[[4-methyl-3-(phenylmethoxycarbonylamino)phenyl]sulfonylcarbamoyl]benzoic acid Traditional Name: 2-amino-3-[[3-(benzyloxycarbonylamino)-4-methyl-phenyl]sulfonylcarbamoyl]-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)C2=C(C=CC(=C2N)C(=O)O)Cl)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=CC(=C2N)C(=O)O)Cl)NC(=O)OCC3=CC=CC=C3

InChI

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