1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-oxidanyl-piperazine

Systemtic Name: 1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]-3-oxidanyl-piperazine Openeye Name: 3-hydroxy-1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine CAS Name: 3-hydroxy-1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine IUPAC Name: 3-hydroxy-1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-hydroxy-1-[5-methyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Formula: C17H21N3O6S2 MolecularWeight: 427.49514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)O

InChI

InChI=1S/C17H21N3O6S2/c1-13-7-8-15(16(11-13)20-10-9-18-17(21)12-20)19-27(22,23)28(24,25)26-14-5-3-2-4-6-14/h2-8,11,17-19,21H,9-10,12H2,1H3