4-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(3-bromophenyl)-(4-methylphenyl)sulfonyl-amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[3-bromo-N-(p-tolylsulfonyl)anilino]acetyl]amino]benzamide CAS Name: 4-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]benzamide Traditional Name: 4-[[2-(3-bromo-N-tosyl-anilino)acetyl]amino]benzamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=C(C=C2)C(=O)N)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H20BrN3O4S/c1-15-5-11-20(12-6-15)31(29,30)26(19-4-2-3-17(23)13-19)14-21(27)25-18-9-7-16(8-10-18)22(24)28/h2-13H,14H2,1H3,(H2,24,28)(H,25,27)