N-(phenylmethyl)-3-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-3-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-3-[[[(E)-3-(2-thienyl)prop-2-enoyl]amino]carbamoyl]benzenesulfonamide CAS Name: 3-[oxo-[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[[(E)-3-(2-thienyl)acryloyl]amino]carbamoyl]benzenesulfonamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C21H19N3O4S2/c25-20(12-11-18-9-5-13-29-18)23-24-21(26)17-8-4-10-19(14-17)30(27,28)22-15-16-6-2-1-3-7-16/h1-14,22H,15H2,(H,23,25)(H,24,26)/b12-11+