1-butyl-3-(4-ethynylphenyl)sulfonyl-urea

Systemtic Name: 1-butyl-3-(4-ethynylphenyl)sulfonyl-urea Openeye Name: 1-butyl-3-(4-ethynylphenyl)sulfonyl-urea CAS Name: 1-butyl-3-(4-ethynylphenyl)sulfonylurea IUPAC Name: 1-butyl-3-(4-ethynylphenyl)sulfonylurea Traditional Name: 1-butyl-3-(4-ethynylphenyl)sulfonyl-urea Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S/c1-3-5-10-14-13(16)15-19(17,18)12-8-6-11(4-2)7-9-12/h2,6-9H,3,5,10H2,1H3,(H2,14,15,16)