3-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide

Systemtic Name: 3-[[2-(3,4-dimethylphenyl)sulfanylethanoylamino]carbamoyl]-N,N-diethyl-benzenesulfonamide Openeye Name: 3-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]carbamoyl]-N,N-diethyl-benzenesulfonamide CAS Name: 3-[[[2-[(3,4-dimethylphenyl)thio]-1-oxoethyl]hydrazo]-oxomethyl]-N,N-diethylbenzenesulfonamide IUPAC Name: 3-[[[2-(3,4-dimethylphenyl)sulfanylacetyl]amino]carbamoyl]-N,N-diethylbenzenesulfonamide Traditional Name: 3-[[[2-[(3,4-dimethylphenyl)thio]acetyl]amino]carbamoyl]-N,N-diethyl-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)CSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H27N3O4S2/c1-5-24(6-2)30(27,28)19-9-7-8-17(13-19)21(26)23-22-20(25)14-29-18-11-10-15(3)16(4)12-18/h7-13H,5-6,14H2,1-4H3,(H,22,25)(H,23,26)