ethyl 4-[[(4-bromophenyl)methyl-(3-chloranyl-2-methyl-phenyl)sulfonyl-amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-bromophenyl)methyl-(3-chloranyl-2-methyl-phenyl)sulfonyl-amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-bromophenyl)methyl-(3-chloro-2-methyl-phenyl)sulfonyl-amino]methyl]benzoate CAS Name: 4-[[(4-bromophenyl)methyl-(3-chloro-2-methylphenyl)sulfonylamino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-bromophenyl)methyl-(3-chloro-2-methylphenyl)sulfonylamino]methyl]benzoate Traditional Name: 4-[[(4-bromobenzyl)-(3-chloro-2-methyl-phenyl)sulfonyl-amino]methyl]benzoic acid ethyl ester Formula: C24H23BrClNO4S MolecularWeight: 536.86572

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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=C3)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C24H23BrClNO4S/c1-3-31-24(28)20-11-7-18(8-12-20)15-27(16-19-9-13-21(25)14-10-19)32(29,30)23-6-4-5-22(26)17(23)2/h4-14H,3,15-16H2,1-2H3