1-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-3-pentyl-urea

Systemtic Name: 1-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-3-pentyl-urea Openeye Name: 1-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-3-pentyl-urea CAS Name: 1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-pentylurea IUPAC Name: 1-[2-(cyclohexylamino)-5-nitrophenyl]sulfonyl-3-pentylurea Traditional Name: 1-amyl-3-[2-(cyclohexylamino)-5-nitro-phenyl]sulfonyl-urea Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2

Isomeric SMILES

CCCCCNC(=O)NS(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])NC2CCCCC2

InChI

InChI=1S/C18H28N4O5S/c1-2-3-7-12-19-18(23)21-28(26,27)17-13-15(22(24)25)10-11-16(17)20-14-8-5-4-6-9-14/h10-11,13-14,20H,2-9,12H2,1H3,(H2,19,21,23)