N-butan-2-yl-2-[2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[(4-iodophenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: 2-[[2-(4-iodo-N-methylsulfonyl-anilino)acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-(4-iodo-N-methylsulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(4-iodo-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(4-iodo-N-mesyl-anilino)acetyl]amino]-N-sec-butyl-benzamide Formula: C20H24IN3O4S MolecularWeight: 529.39173

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)I)S(=O)(=O)C

InChI

InChI=1S/C20H24IN3O4S/c1-4-14(2)22-20(26)17-7-5-6-8-18(17)23-19(25)13-24(29(3,27)28)16-11-9-15(21)10-12-16/h5-12,14H,4,13H2,1-3H3,(H,22,26)(H,23,25)