1-[2-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-3-pentyl-urea

Systemtic Name: 1-[2-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[2-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[2-(4-chloro-3-methylphenoxy)-5-nitrophenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[2-(4-chloro-3-methylphenoxy)-5-nitrophenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-[2-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]sulfonyl-urea Formula: C19H22ClN3O6S MolecularWeight: 455.91248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O6S/c1-3-4-5-10-21-19(24)22-30(27,28)18-12-14(23(25)26)6-9-17(18)29-15-7-8-16(20)13(2)11-15/h6-9,11-12H,3-5,10H2,1-2H3,(H2,21,22,24)