ethyl 4-[[(4-acetamidophenyl)sulfonyl-[(4-bromophenyl)methyl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-[(4-bromophenyl)methyl]amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-[(4-bromophenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[(4-acetamidophenyl)sulfonyl-[(4-bromophenyl)methyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-[(4-bromophenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-acetamidophenyl)sulfonyl-(4-bromobenzyl)amino]methyl]benzoic acid ethyl ester Formula: C25H25BrN2O5S MolecularWeight: 545.4454

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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=CC=C(C=C3)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H25BrN2O5S/c1-3-33-25(30)21-8-4-19(5-9-21)16-28(17-20-6-10-22(26)11-7-20)34(31,32)24-14-12-23(13-15-24)27-18(2)29/h4-15H,3,16-17H2,1-2H3,(H,27,29)