ethyl 2-[(4-bromanylnaphthalen-1-yl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoate

Systemtic Name: ethyl 2-[(4-bromanylnaphthalen-1-yl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: ethyl 2-[(4-bromo-1-naphthyl)methyl-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[(4-bromo-1-naphthalenyl)methyl-(4-methylphenyl)sulfonylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromonaphthalen-1-yl)methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[(4-bromo-1-naphthyl)methyl-tosyl-amino]acetic acid ethyl ester Formula: C22H22BrNO4S MolecularWeight: 476.38338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC1=CC=C(C2=CC=CC=C12)Br)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)CN(CC1=CC=C(C2=CC=CC=C12)Br)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22BrNO4S/c1-3-28-22(25)15-24(29(26,27)18-11-8-16(2)9-12-18)14-17-10-13-21(23)20-7-5-4-6-19(17)20/h4-13H,3,14-15H2,1-2H3