N-(phenylmethyl)-3-[(2-phenylsulfanylethanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-3-[(2-phenylsulfanylethanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-3-[[(2-phenylsulfanylacetyl)amino]carbamoyl]benzenesulfonamide CAS Name: 3-[oxo-[[1-oxo-2-(phenylthio)ethyl]hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[[(2-phenylsulfanylacetyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[[2-(phenylthio)acetyl]amino]carbamoyl]benzenesulfonamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O4S2/c26-21(16-30-19-11-5-2-6-12-19)24-25-22(27)18-10-7-13-20(14-18)31(28,29)23-15-17-8-3-1-4-9-17/h1-14,23H,15-16H2,(H,24,26)(H,25,27)