[(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [(2S)-1-[ethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate Openeye Name: [(1S)-2-(N-ethylanilino)-1-methyl-2-oxo-ethyl] 2-bromo-5-(isopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(propan-2-ylsulfamoyl)benzoic acid [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-bromo-5-(propan-2-ylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(isopropylsulfamoyl)benzoic acid [(1S)-2-(N-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C(C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)C)Br

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)[C@H](C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC(C)C)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-5-24(16-9-7-6-8-10-16)20(25)15(4)29-21(26)18-13-17(11-12-19(18)22)30(27,28)23-14(2)3/h6-15,23H,5H2,1-4H3/t15-/m0/s1