N,N-dimethyl-3-[[2-(phenylmethylsulfanyl)propanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-dimethyl-3-[[2-(phenylmethylsulfanyl)propanoylamino]carbamoyl]benzenesulfonamide Openeye Name: 3-[(2-benzylsulfanylpropanoylamino)carbamoyl]-N,N-dimethyl-benzenesulfonamide CAS Name: N,N-dimethyl-3-[oxo-[[1-oxo-2-(phenylmethylthio)propyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: 3-[(2-benzylsulfanylpropanoylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[2-(benzylthio)propanoylamino]carbamoyl]-N,N-dimethyl-benzenesulfonamide Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N(C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C19H23N3O4S2/c1-14(27-13-15-8-5-4-6-9-15)18(23)20-21-19(24)16-10-7-11-17(12-16)28(25,26)22(2)3/h4-12,14H,13H2,1-3H3,(H,20,23)(H,21,24)