N,N-diethyl-3-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]carbamoyl]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]carbamoyl]benzenesulfonamide Openeye Name: N,N-diethyl-3-[[[2-(p-tolylmethylsulfanyl)acetyl]amino]carbamoyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]hydrazo]-oxomethyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]carbamoyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[[[2-[(4-methylbenzyl)thio]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)CSCC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NNC(=O)CSCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H27N3O4S2/c1-4-24(5-2)30(27,28)19-8-6-7-18(13-19)21(26)23-22-20(25)15-29-14-17-11-9-16(3)10-12-17/h6-13H,4-5,14-15H2,1-3H3,(H,22,25)(H,23,26)