ethyl 2-[2-[[(4-bromophenyl)carbonylamino]methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[[(4-bromophenyl)carbonylamino]methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[[(4-bromobenzoyl)amino]methyl-(p-tolylsulfonyl)amino]acetyl]amino]acetate CAS Name: 2-[[2-[[[(4-bromophenyl)-oxomethyl]amino]methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[(4-bromobenzoyl)amino]methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]acetate Traditional Name: 2-[[2-[[(4-bromobenzoyl)amino]methyl-tosyl-amino]acetyl]amino]acetic acid ethyl ester Formula: C21H24BrN3O6S MolecularWeight: 526.40076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN(CNC(=O)C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)CNC(=O)CN(CNC(=O)C1=CC=C(C=C1)Br)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H24BrN3O6S/c1-3-31-20(27)12-23-19(26)13-25(32(29,30)18-10-4-15(2)5-11-18)14-24-21(28)16-6-8-17(22)9-7-16/h4-11H,3,12-14H2,1-2H3,(H,23,26)(H,24,28)