phenyl 6,10-bis(methylsulfanyl)-10-azaspiro[4.5]decane-3-sulfonate

Systemtic Name: phenyl 6,10-bis(methylsulfanyl)-10-azaspiro[4.5]decane-3-sulfonate Openeye Name: phenyl 6,10-bis(methylsulfanyl)-10-azaspiro[4.5]decane-3-sulfonate CAS Name: 6,10-bis(methylthio)-10-azaspiro[4.5]decane-3-sulfonic acid phenyl ester IUPAC Name: phenyl 6,10-bis(methylsulfanyl)-10-azaspiro[4.5]decane-3-sulfonate Traditional Name: 6,10-bis(methylthio)-10-azaspiro[4.5]decane-3-sulfonic acid phenyl ester Formula: C17H25NO3S3 MolecularWeight: 387.5803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1CCCN(C12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)SC

Isomeric SMILES

CSC1CCCN(C12CCC(C2)S(=O)(=O)OC3=CC=CC=C3)SC

InChI

InChI=1S/C17H25NO3S3/c1-22-16-9-6-12-18(23-2)17(16)11-10-15(13-17)24(19,20)21-14-7-4-3-5-8-14/h3-5,7-8,15-16H,6,9-13H2,1-2H3