N,N-diethyl-3-[(2-phenethylsulfanylethanoylamino)carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[(2-phenethylsulfanylethanoylamino)carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[(2-phenethylsulfanylacetyl)amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[oxo-[[1-oxo-2-(phenethylthio)ethyl]hydrazo]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[(2-phenethylsulfanylacetyl)amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[[2-(phenethylthio)acetyl]amino]carbamoyl]benzenesulfonamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CSCCC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CSCCC2=CC=CC=C2

InChI

InChI=1S/C21H27N3O4S2/c1-3-24(4-2)30(27,28)19-12-8-11-18(15-19)21(26)23-22-20(25)16-29-14-13-17-9-6-5-7-10-17/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,22,25)(H,23,26)