ethyl 2-[(4-pentylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]ethanoate

Systemtic Name: ethyl 2-[(4-pentylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]ethanoate Openeye Name: ethyl 2-[(4-pentylphenyl)sulfonyl-(2-pyridylmethyl)amino]acetate CAS Name: 2-[(4-pentylphenyl)sulfonyl-(2-pyridinylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-pentylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate Traditional Name: 2-[(4-amylphenyl)sulfonyl-(2-pyridylmethyl)amino]acetic acid ethyl ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=N2)CC(=O)OCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=N2)CC(=O)OCC

InChI

InChI=1S/C21H28N2O4S/c1-3-5-6-9-18-11-13-20(14-12-18)28(25,26)23(17-21(24)27-4-2)16-19-10-7-8-15-22-19/h7-8,10-15H,3-6,9,16-17H2,1-2H3