tert-butyl 4-[(2-azanyloxycarbonyl-5-chloranyl-phenyl)carbonylsulfamoyl]-2-(phenylmethoxycarbonylamino)benzoate

Systemtic Name: tert-butyl 4-[(2-azanyloxycarbonyl-5-chloranyl-phenyl)carbonylsulfamoyl]-2-(phenylmethoxycarbonylamino)benzoate Openeye Name: tert-butyl 4-[(2-aminooxycarbonyl-5-chloro-benzoyl)sulfamoyl]-2-(benzyloxycarbonylamino)benzoate CAS Name: 4-[[[2-[aminooxy(oxo)methyl]-5-chlorophenyl]-oxomethyl]sulfamoyl]-2-(phenylmethoxycarbonylamino)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2-aminooxycarbonyl-5-chlorobenzoyl)sulfamoyl]-2-(phenylmethoxycarbonylamino)benzoate Traditional Name: 4-[(2-aminooxycarbonyl-5-chloro-benzoyl)sulfamoyl]-2-(benzyloxycarbonylamino)benzoic acid tert-butyl ester Formula: C27H26ClN3O9S MolecularWeight: 604.02804

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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)C2=C(C=CC(=C2)Cl)C(=O)ON)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C=C(C=C1)S(=O)(=O)NC(=O)C2=C(C=CC(=C2)Cl)C(=O)ON)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H26ClN3O9S/c1-27(2,3)39-24(33)20-12-10-18(14-22(20)30-26(35)38-15-16-7-5-4-6-8-16)41(36,37)31-23(32)21-13-17(28)9-11-19(21)25(34)40-29/h4-14H,15,29H2,1-3H3,(H,30,35)(H,31,32)