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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=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)19-10-13-23(18(3)14-19)27-24(29)16-28(21-7-5-6-20(26)15-21)34(31,32)22-11-8-17(2)9-12-22/h5-15H,4,16H2,1-3H3,(H,27,29)