ethyl 3-[(4-bromophenyl)methylsulfonylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[(4-bromophenyl)methylsulfonylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[(4-bromophenyl)methylsulfonylamino]-2-methyl-benzoate CAS Name: 3-[(4-bromophenyl)methylsulfonylamino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methylsulfonylamino]-2-methylbenzoate Traditional Name: 3-[(4-bromobenzyl)sulfonylamino]-2-methyl-benzoic acid ethyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NS(=O)(=O)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NS(=O)(=O)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H18BrNO4S/c1-3-23-17(20)15-5-4-6-16(12(15)2)19-24(21,22)11-13-7-9-14(18)10-8-13/h4-10,19H,3,11H2,1-2H3