N-butyl-2-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butyl-2-[2-[(2-methoxy-5-nitro-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: N-butyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitro-anilino)acetyl]amino]benzamide CAS Name: N-butyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butyl-2-[[2-(2-methoxy-N-methylsulfonyl-5-nitroanilino)acetyl]amino]benzamide Traditional Name: N-butyl-2-[[2-(N-mesyl-2-methoxy-5-nitro-anilino)acetyl]amino]benzamide Formula: C21H26N4O7S MolecularWeight: 478.51874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O7S/c1-4-5-12-22-21(27)16-8-6-7-9-17(16)23-20(26)14-24(33(3,30)31)18-13-15(25(28)29)10-11-19(18)32-2/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,27)(H,23,26)