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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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