ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate Openeye Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-(p-tolylmethyl)amino]methyl]benzoate CAS Name: 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2,5-dimethylphenyl)sulfonyl-[(4-methylphenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(2,5-dimethylphenyl)sulfonyl-(4-methylbenzyl)amino]methyl]benzoic acid ethyl ester Formula: C26H29NO4S MolecularWeight: 451.57776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO4S/c1-5-31-26(28)24-14-12-23(13-15-24)18-27(17-22-10-7-19(2)8-11-22)32(29,30)25-16-20(3)6-9-21(25)4/h6-16H,5,17-18H2,1-4H3