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

Systemtic Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Openeye Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoate CAS Name: 4-[[(4-acetamidophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(4-acetamidophenyl)sulfonyl-(pyridin-4-ylmethyl)amino]methyl]benzoate Traditional Name: 4-[[(4-acetamidophenyl)sulfonyl-(4-pyridylmethyl)amino]methyl]benzoic acid ethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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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)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5S/c1-3-32-24(29)21-6-4-19(5-7-21)16-27(17-20-12-14-25-15-13-20)33(30,31)23-10-8-22(9-11-23)26-18(2)28/h4-15H,3,16-17H2,1-2H3,(H,26,28)