ethyl 4-[[(4-bromophenyl)methyl-(2,6-dimethylphenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-bromophenyl)methyl-(2,6-dimethylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-bromophenyl)methyl-(2,6-dimethylphenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-(2,6-dimethylphenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)methyl-(2,6-dimethylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-(2,6-dimethylphenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=C(C=CC=C3C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=C(C=CC=C3C)C

InChI

InChI=1S/C25H26BrNO4S/c1-4-31-25(28)22-12-8-20(9-13-22)16-27(17-21-10-14-23(26)15-11-21)32(29,30)24-18(2)6-5-7-19(24)3/h5-15H,4,16-17H2,1-3H3