N-(2-methoxyphenyl)-3-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-3-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamoyl]benzenesulfonamide Openeye Name: 3-[[(2-benzylsulfanylacetyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide CAS Name: N-(2-methoxyphenyl)-3-[oxo-[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: 3-[[(2-benzylsulfanylacetyl)amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide Traditional Name: 3-[[[2-(benzylthio)acetyl]amino]carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide Formula: C23H23N3O5S2 MolecularWeight: 485.57582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)C(=O)NNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C23H23N3O5S2/c1-31-21-13-6-5-12-20(21)26-33(29,30)19-11-7-10-18(14-19)23(28)25-24-22(27)16-32-15-17-8-3-2-4-9-17/h2-14,26H,15-16H2,1H3,(H,24,27)(H,25,28)