N,N-dimethyl-4-[methylsulfonyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]amino]benzamide

Systemtic Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl]amino]benzamide Openeye Name: 4-[[2-(2-benzylsulfanylethylamino)-2-oxo-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide CAS Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl]amino]benzamide IUPAC Name: 4-[[2-(2-benzylsulfanylethylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[2-(benzylthio)ethylamino]-2-keto-ethyl]-mesyl-amino]-N,N-dimethyl-benzamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C21H27N3O4S2/c1-23(2)21(26)18-9-11-19(12-10-18)24(30(3,27)28)15-20(25)22-13-14-29-16-17-7-5-4-6-8-17/h4-12H,13-16H2,1-3H3,(H,22,25)