1-(3-butan-2-yl-5-octyl-4-oxidanyl-phenyl)-3-(4,5-diazido-1-sulfonyl-pentyl)urea

Systemtic Name: 1-(3-butan-2-yl-5-octyl-4-oxidanyl-phenyl)-3-(4,5-diazido-1-sulfonyl-pentyl)urea Openeye Name: 1-(4,5-diazido-1-sulfonyl-pentyl)-3-(4-hydroxy-3-octyl-5-sec-butyl-phenyl)urea CAS Name: 1-(3-butan-2-yl-4-hydroxy-5-octylphenyl)-3-(4,5-diazido-1-sulfonylpentyl)urea IUPAC Name: 1-(3-butan-2-yl-4-hydroxy-5-octylphenyl)-3-(4,5-diazido-1-sulfonylpentyl)urea Traditional Name: 1-(4,5-diazido-1-sulfonyl-pentyl)-3-(4-hydroxy-3-octyl-5-sec-butyl-phenyl)urea Formula: C24H38N8O4S MolecularWeight: 534.67472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=CC(=C1O)C(C)CC)NC(=O)NC(=S(=O)=O)CCC(CN=[N+]=[N-])N=[N+]=[N-]

Isomeric SMILES

CCCCCCCCC1=CC(=CC(=C1O)C(C)CC)NC(=O)NC(=S(=O)=O)CCC(CN=[N+]=[N-])N=[N+]=[N-]

InChI

InChI=1S/C24H38N8O4S/c1-4-6-7-8-9-10-11-18-14-20(15-21(23(18)33)17(3)5-2)28-24(34)29-22(37(35)36)13-12-19(30-32-26)16-27-31-25/h14-15,17,19,33H,4-13,16H2,1-3H3,(H2,28,29,34)