1-hexyl-3-[2-(4-methylphenoxy)-5-nitro-phenyl]sulfonyl-urea

Systemtic Name: 1-hexyl-3-[2-(4-methylphenoxy)-5-nitro-phenyl]sulfonyl-urea Openeye Name: 1-hexyl-3-[2-(4-methylphenoxy)-5-nitro-phenyl]sulfonyl-urea CAS Name: 1-hexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea IUPAC Name: 1-hexyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea Traditional Name: 1-hexyl-3-[2-(4-methylphenoxy)-5-nitro-phenyl]sulfonyl-urea Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OC2=CC=C(C=C2)C

InChI

InChI=1S/C20H25N3O6S/c1-3-4-5-6-13-21-20(24)22-30(27,28)19-14-16(23(25)26)9-12-18(19)29-17-10-7-15(2)8-11-17/h7-12,14H,3-6,13H2,1-2H3,(H2,21,22,24)