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

Systemtic Name: 1-butyl-3-[2-(4-methylphenoxy)-5-nitro-phenyl]sulfonyl-urea Openeye Name: 1-butyl-3-[2-(4-methylphenoxy)-5-nitro-phenyl]sulfonyl-urea CAS Name: 1-butyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea IUPAC Name: 1-butyl-3-[2-(4-methylphenoxy)-5-nitrophenyl]sulfonylurea Traditional Name: 1-butyl-3-[2-(4-methylphenoxy)-5-nitro-phenyl]sulfonyl-urea Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-3-4-11-19-18(22)20-28(25,26)17-12-14(21(23)24)7-10-16(17)27-15-8-5-13(2)6-9-15/h5-10,12H,3-4,11H2,1-2H3,(H2,19,20,22)