ethyl 4-[[(4-bromophenyl)-methylsulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-bromophenyl)-methylsulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[(4-bromo-N-methylsulfonyl-anilino)methyl]benzoate CAS Name: 4-[(4-bromo-N-methylsulfonylanilino)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-bromo-N-methylsulfonylanilino)methyl]benzoate Traditional Name: 4-[(4-bromo-N-mesyl-anilino)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)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(C2=CC=C(C=C2)Br)S(=O)(=O)C

InChI

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