3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide

Systemtic Name: 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide Openeye Name: 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynyl-benzenesulfonamide CAS Name: 3-[[[2-(4-ethoxyphenoxy)-1-oxopropyl]hydrazo]-oxomethyl]-N-prop-2-ynylbenzenesulfonamide IUPAC Name: 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N-prop-2-ynylbenzenesulfonamide Traditional Name: 3-[[2-(4-ethoxyphenoxy)propanoylamino]carbamoyl]-N-propargyl-benzenesulfonamide Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

Isomeric SMILES

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC#C

InChI

InChI=1S/C21H23N3O6S/c1-4-13-22-31(27,28)19-8-6-7-16(14-19)21(26)24-23-20(25)15(3)30-18-11-9-17(10-12-18)29-5-2/h1,6-12,14-15,22H,5,13H2,2-3H3,(H,23,25)(H,24,26)