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

Systemtic Name: ethyl 4-[[(4-bromophenyl)methyl-(4-cyclohexylphenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-bromophenyl)methyl-(4-cyclohexylphenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-(4-cyclohexylphenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)methyl-(4-cyclohexylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-(4-cyclohexylphenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C29H32BrNO4S MolecularWeight: 570.53768

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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)C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C4CCCCC4

InChI

InChI=1S/C29H32BrNO4S/c1-2-35-29(32)26-12-8-22(9-13-26)20-31(21-23-10-16-27(30)17-11-23)36(33,34)28-18-14-25(15-19-28)24-6-4-3-5-7-24/h8-19,24H,2-7,20-21H2,1H3