ethyl 5-[2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-2-chloranyl-benzoate

Systemtic Name: ethyl 5-[2-[(4-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]-2-chloranyl-benzoate Openeye Name: ethyl 5-[[2-[4-bromo-N-(p-tolylsulfonyl)anilino]acetyl]amino]-2-chloro-benzoate CAS Name: 5-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]-2-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-2-chlorobenzoate Traditional Name: 5-[[2-(4-bromo-N-tosyl-anilino)acetyl]amino]-2-chloro-benzoic acid ethyl ester Formula: C24H22BrClN2O5S MolecularWeight: 565.86388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrClN2O5S/c1-3-33-24(30)21-14-18(8-13-22(21)26)27-23(29)15-28(19-9-6-17(25)7-10-19)34(31,32)20-11-4-16(2)5-12-20/h4-14H,3,15H2,1-2H3,(H,27,29)