N-methyl-N-[4-[3-[[2-(3-methylsulfanyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butylamino]phenyl]methanesulfonamide

Systemtic Name: N-methyl-N-[4-[3-[[2-(3-methylsulfanyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butylamino]phenyl]methanesulfonamide Openeye Name: N-[4-[3-[[2-hydroxy-2-(4-hydroxy-3-methylsulfanyl-phenyl)ethyl]amino]butylamino]phenyl]-N-methyl-methanesulfonamide CAS Name: N-[4-[3-[[2-hydroxy-2-[4-hydroxy-3-(methylthio)phenyl]ethyl]amino]butylamino]phenyl]-N-methylmethanesulfonamide IUPAC Name: N-[4-[3-[[2-hydroxy-2-(4-hydroxy-3-methylsulfanylphenyl)ethyl]amino]butylamino]phenyl]-N-methylmethanesulfonamide Traditional Name: N-[4-[3-[[2-hydroxy-2-[4-hydroxy-3-(methylthio)phenyl]ethyl]amino]butylamino]phenyl]-N-methyl-methanesulfonamide Formula: C21H31N3O4S2 MolecularWeight: 453.61854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCNC1=CC=C(C=C1)N(C)S(=O)(=O)C)NCC(C2=CC(=C(C=C2)O)SC)O

Isomeric SMILES

CC(CCNC1=CC=C(C=C1)N(C)S(=O)(=O)C)NCC(C2=CC(=C(C=C2)O)SC)O

InChI

InChI=1S/C21H31N3O4S2/c1-15(23-14-20(26)16-5-10-19(25)21(13-16)29-3)11-12-22-17-6-8-18(9-7-17)24(2)30(4,27)28/h5-10,13,15,20,22-23,25-26H,11-12,14H2,1-4H3