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

Systemtic Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxidanylidene-2-[3-(phenylmethylsulfanyl)propylamino]ethyl]amino]benzamide Openeye Name: 4-[[2-(3-benzylsulfanylpropylamino)-2-oxo-ethyl]-methylsulfonyl-amino]-N,N-dimethyl-benzamide CAS Name: N,N-dimethyl-4-[methylsulfonyl-[2-oxo-2-[3-(phenylmethylthio)propylamino]ethyl]amino]benzamide IUPAC Name: 4-[[2-(3-benzylsulfanylpropylamino)-2-oxoethyl]-methylsulfonylamino]-N,N-dimethylbenzamide Traditional Name: 4-[[2-[3-(benzylthio)propylamino]-2-keto-ethyl]-mesyl-amino]-N,N-dimethyl-benzamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)N(CC(=O)NCCCSCC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O4S2/c1-24(2)22(27)19-10-12-20(13-11-19)25(31(3,28)29)16-21(26)23-14-7-15-30-17-18-8-5-4-6-9-18/h4-6,8-13H,7,14-17H2,1-3H3,(H,23,26)