3-methylsulfanyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine

Systemtic Name: 3-methylsulfanyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine Openeye Name: 3-methylsulfanyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 3-(methylthio)-1-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]piperazine IUPAC Name: 3-methylsulfanyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]piperazine Traditional Name: 3-(methylthio)-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine Formula: C20H27N3O5S3 MolecularWeight: 485.64048

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C20H27N3O5S3/c1-3-7-16-10-11-18(19(14-16)23-13-12-21-20(15-23)29-2)22-30(24,25)31(26,27)28-17-8-5-4-6-9-17/h4-6,8-11,14,20-22H,3,7,12-13,15H2,1-2H3