N-(phenylmethyl)-3-[(3-phenylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N-(phenylmethyl)-3-[(3-phenylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N-benzyl-3-[(3-phenylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide CAS Name: 3-[oxo-[[1-oxo-3-(phenylthio)propyl]hydrazo]methyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-3-[(3-phenylsulfanylpropanoylamino)carbamoyl]benzenesulfonamide Traditional Name: N-benzyl-3-[[3-(phenylthio)propanoylamino]carbamoyl]benzenesulfonamide Formula: C23H23N3O4S2 MolecularWeight: 469.57642

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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)CCSC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O4S2/c27-22(14-15-31-20-11-5-2-6-12-20)25-26-23(28)19-10-7-13-21(16-19)32(29,30)24-17-18-8-3-1-4-9-18/h1-13,16,24H,14-15,17H2,(H,25,27)(H,26,28)