N-butan-2-yl-2-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[methylsulfonyl-(3-nitrophenyl)amino]ethanoylamino]benzamide Openeye Name: 2-[[2-(N-methylsulfonyl-3-nitro-anilino)acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-(N-methylsulfonyl-3-nitroanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(N-methylsulfonyl-3-nitroanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(N-mesyl-3-nitro-anilino)acetyl]amino]-N-sec-butyl-benzamide Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C20H24N4O6S/c1-4-14(2)21-20(26)17-10-5-6-11-18(17)22-19(25)13-23(31(3,29)30)15-8-7-9-16(12-15)24(27)28/h5-12,14H,4,13H2,1-3H3,(H,21,26)(H,22,25)