1-[5-nitro-2-[(2,4,6-trimethylphenyl)amino]phenyl]sulfonyl-3-pentyl-urea

Systemtic Name: 1-[5-nitro-2-[(2,4,6-trimethylphenyl)amino]phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[5-nitro-2-(2,4,6-trimethylanilino)phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[5-nitro-2-(2,4,6-trimethylanilino)phenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[5-nitro-2-(2,4,6-trimethylanilino)phenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-(2-mesidino-5-nitro-phenyl)sulfonyl-urea Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H28N4O5S/c1-5-6-7-10-22-21(26)24-31(29,30)19-13-17(25(27)28)8-9-18(19)23-20-15(3)11-14(2)12-16(20)4/h8-9,11-13,23H,5-7,10H2,1-4H3,(H2,22,24,26)