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

Systemtic Name: ethyl 2-[(4-bromanyl-2-ethyl-phenyl)sulfonyl-(pyridin-2-ylmethyl)amino]ethanoate Openeye Name: ethyl 2-[(4-bromo-2-ethyl-phenyl)sulfonyl-(2-pyridylmethyl)amino]acetate CAS Name: 2-[(4-bromo-2-ethylphenyl)sulfonyl-(2-pyridinylmethyl)amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromo-2-ethylphenyl)sulfonyl-(pyridin-2-ylmethyl)amino]acetate Traditional Name: 2-[(4-bromo-2-ethyl-phenyl)sulfonyl-(2-pyridylmethyl)amino]acetic acid ethyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC=CC=N2)CC(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)N(CC2=CC=CC=N2)CC(=O)OCC

InChI

InChI=1S/C18H21BrN2O4S/c1-3-14-11-15(19)8-9-17(14)26(23,24)21(13-18(22)25-4-2)12-16-7-5-6-10-20-16/h5-11H,3-4,12-13H2,1-2H3