tert-butyl 4-[[(2-azanyl-5-bromanyl-phenyl)sulfonylamino]methyl]benzoate

Systemtic Name: tert-butyl 4-[[(2-azanyl-5-bromanyl-phenyl)sulfonylamino]methyl]benzoate Openeye Name: tert-butyl 4-[[(2-amino-5-bromo-phenyl)sulfonylamino]methyl]benzoate CAS Name: 4-[[(2-amino-5-bromophenyl)sulfonylamino]methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(2-amino-5-bromophenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(2-amino-5-bromo-phenyl)sulfonylamino]methyl]benzoic acid tert-butyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)Br)N

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)Br)N

InChI

InChI=1S/C18H21BrN2O4S/c1-18(2,3)25-17(22)13-6-4-12(5-7-13)11-21-26(23,24)16-10-14(19)8-9-15(16)20/h4-10,21H,11,20H2,1-3H3