ethyl 3-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-2-methyl-benzoate

Systemtic Name: ethyl 3-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-2-methyl-benzoate Openeye Name: ethyl 3-[[2-[3-bromo-N-(p-tolylsulfonyl)anilino]acetyl]amino]-2-methyl-benzoate CAS Name: 3-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-methylbenzoate Traditional Name: 3-[[2-(3-bromo-N-tosyl-anilino)acetyl]amino]-2-methyl-benzoic acid ethyl ester Formula: C25H25BrN2O5S MolecularWeight: 545.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C25H25BrN2O5S/c1-4-33-25(30)22-9-6-10-23(18(22)3)27-24(29)16-28(20-8-5-7-19(26)15-20)34(31,32)21-13-11-17(2)12-14-21/h5-15H,4,16H2,1-3H3,(H,27,29)