N-butan-2-yl-2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: 2-[[2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide Traditional Name: 2-[[2-(N-mesyl-2-methyl-5-nitro-anilino)acetyl]amino]-N-sec-butyl-benzamide Formula: C21H26N4O6S MolecularWeight: 462.51934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O6S/c1-5-15(3)22-21(27)17-8-6-7-9-18(17)23-20(26)13-24(32(4,30)31)19-12-16(25(28)29)11-10-14(19)2/h6-12,15H,5,13H2,1-4H3,(H,22,27)(H,23,26)