1-butyl-3-[4-(2-oxidanylidenepropyl)phenyl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[4-(2-oxidanylidenepropyl)phenyl]sulfonyl-urea Openeye Name: 1-(4-acetonylphenyl)sulfonyl-3-butyl-urea CAS Name: 1-butyl-3-[4-(2-oxopropyl)phenyl]sulfonylurea IUPAC Name: 1-butyl-3-[4-(2-oxopropyl)phenyl]sulfonylurea Traditional Name: 1-(4-acetonylphenyl)sulfonyl-3-butyl-urea Formula: C14H20N2O4S MolecularWeight: 312.3846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CC(=O)C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CC(=O)C

InChI

InChI=1S/C14H20N2O4S/c1-3-4-9-15-14(18)16-21(19,20)13-7-5-12(6-8-13)10-11(2)17/h5-8H,3-4,9-10H2,1-2H3,(H2,15,16,18)