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

Systemtic Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[(4-tert-butylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-tert-butylphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(4-tert-butylphenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoic acid ethyl ester Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4S/c1-5-32-25(29)22-8-6-20(7-9-22)18-28(19-21-14-16-27-17-15-21)33(30,31)24-12-10-23(11-13-24)26(2,3)4/h6-17H,5,18-19H2,1-4H3