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

Systemtic Name: methyl 2-[[(4-bromophenyl)carbonylamino]methyl-(4-methylphenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[[(4-bromobenzoyl)amino]methyl-(p-tolylsulfonyl)amino]acetate CAS Name: 2-[[[(4-bromophenyl)-oxomethyl]amino]methyl-(4-methylphenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(4-bromobenzoyl)amino]methyl-(4-methylphenyl)sulfonylamino]acetate Traditional Name: 2-[[(4-bromobenzoyl)amino]methyl-tosyl-amino]acetic acid methyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)CNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)OC)CNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O5S/c1-13-3-9-16(10-4-13)27(24,25)21(11-17(22)26-2)12-20-18(23)14-5-7-15(19)8-6-14/h3-10H,11-12H2,1-2H3,(H,20,23)