(3,5-dimethylphenyl) 2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (3,5-dimethylphenyl) 2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (3,5-dimethylphenyl) 2-[(4-bromophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-bromophenyl)sulfonyl-methylamino]acetic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 2-[(4-bromophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[brosyl(methyl)amino]acetic acid (3,5-dimethylphenyl) ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)Br)C

InChI

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