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

Systemtic Name: N,N-dimethyl-4-[[2-[3-(4-methylphenyl)sulfanylpropylamino]-2-oxidanylidene-ethyl]-methylsulfonyl-amino]benzamide Openeye Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxo-2-[3-(p-tolylsulfanyl)propylamino]ethyl]amino]benzamide CAS Name: N,N-dimethyl-4-[[2-[3-[(4-methylphenyl)thio]propylamino]-2-oxoethyl]-methylsulfonylamino]benzamide IUPAC Name: N,N-dimethyl-4-[[2-[3-(4-methylphenyl)sulfanylpropylamino]-2-oxoethyl]-methylsulfonylamino]benzamide Traditional Name: 4-[[2-keto-2-[3-(p-tolylthio)propylamino]ethyl]-mesyl-amino]-N,N-dimethyl-benzamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=C(C=C2)C(=O)N(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCCNC(=O)CN(C2=CC=C(C=C2)C(=O)N(C)C)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S2/c1-17-6-12-20(13-7-17)30-15-5-14-23-21(26)16-25(31(4,28)29)19-10-8-18(9-11-19)22(27)24(2)3/h6-13H,5,14-16H2,1-4H3,(H,23,26)