1-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-methylsulfonyl-2-(2-oxidanyl-2-phenyl-ethyl)guanidine

Systemtic Name: 1-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-methylsulfonyl-2-(2-oxidanyl-2-phenyl-ethyl)guanidine Openeye Name: 2-(2-hydroxy-2-phenyl-ethyl)-1-[2-[[5-(methylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-3-methylsulfonyl-guanidine CAS Name: 2-(2-hydroxy-2-phenylethyl)-1-[2-[[5-(methylaminomethyl)-2-furanyl]methylthio]ethyl]-3-methylsulfonylguanidine IUPAC Name: 2-(2-hydroxy-2-phenylethyl)-1-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-methylsulfonylguanidine Traditional Name: 2-(2-hydroxy-2-phenyl-ethyl)-1-mesyl-3-[2-[[5-(methylaminomethyl)-2-furyl]methylthio]ethyl]guanidine Formula: C19H28N4O4S2 MolecularWeight: 440.58002

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=CC=C2)O)NS(=O)(=O)C

Isomeric SMILES

CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=CC=C2)O)NS(=O)(=O)C

InChI

InChI=1S/C19H28N4O4S2/c1-20-12-16-8-9-17(27-16)14-28-11-10-21-19(23-29(2,25)26)22-13-18(24)15-6-4-3-5-7-15/h3-9,18,20,24H,10-14H2,1-2H3,(H2,21,22,23)