ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]benzoate

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonyl-(4-fluorobenzyl)amino]methyl]benzoic acid ethyl ester Formula: C27H30FNO4S MolecularWeight: 483.594803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30FNO4S/c1-5-33-26(30)22-10-6-20(7-11-22)18-29(19-21-8-14-24(28)15-9-21)34(31,32)25-16-12-23(13-17-25)27(2,3)4/h6-17H,5,18-19H2,1-4H3