N,N-dimethyl-4-[methylsulfonyl-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]amino]benzamide

Systemtic Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxidanylidene-2-(3-phenylsulfanylpropylamino)ethyl]amino]benzamide Openeye Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]amino]benzamide CAS Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxo-2-[3-(phenylthio)propylamino]ethyl]amino]benzamide IUPAC Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxo-2-(3-phenylsulfanylpropylamino)ethyl]amino]benzamide Traditional Name: 4-[[2-keto-2-[3-(phenylthio)propylamino]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)NCCCSC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C

InChI

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