tert-butyl 4-[(5-chloranyl-2-phenylmethoxycarbonyl-phenyl)carbamoylsulfamoyl]-2-(phenylmethoxycarbonylamino)benzoate

Systemtic Name: tert-butyl 4-[(5-chloranyl-2-phenylmethoxycarbonyl-phenyl)carbamoylsulfamoyl]-2-(phenylmethoxycarbonylamino)benzoate Openeye Name: tert-butyl 2-(benzyloxycarbonylamino)-4-[(2-benzyloxycarbonyl-5-chloro-phenyl)carbamoylsulfamoyl]benzoate CAS Name: 4-[[(5-chloro-2-phenylmethoxycarbonylanilino)-oxomethyl]sulfamoyl]-2-(phenylmethoxycarbonylamino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-2-phenylmethoxycarbonylphenyl)carbamoylsulfamoyl]-2-(phenylmethoxycarbonylamino)benzoate Traditional Name: 2-(benzyloxycarbonylamino)-4-[(2-carbobenzoxy-5-chloro-phenyl)carbamoylsulfamoyl]benzoic acid tert-butyl ester Formula: C34H32ClN3O9S MolecularWeight: 694.15058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=CC(=C2)Cl)C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C34H32ClN3O9S/c1-34(2,3)47-31(40)27-17-15-25(19-29(27)37-33(42)46-21-23-12-8-5-9-13-23)48(43,44)38-32(41)36-28-18-24(35)14-16-26(28)30(39)45-20-22-10-6-4-7-11-22/h4-19H,20-21H2,1-3H3,(H,37,42)(H2,36,38,41)