phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate CAS Name: 3-[3-(methylthio)-1-piperazinyl]-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-methylsulfanylpiperazin-1-yl)-4-(phenoxysulfonylsulfonylamino)benzenesulfonate Traditional Name: 3-[3-(methylthio)piperazino]-4-(phenoxysulfonylsulfonylamino)benzenesulfonic acid phenyl ester Formula: C23H25N3O8S4 MolecularWeight: 599.7199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1CN(CCN1)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O8S4/c1-35-23-17-26(15-14-24-23)22-16-20(36(27,28)33-18-8-4-2-5-9-18)12-13-21(22)25-37(29,30)38(31,32)34-19-10-6-3-7-11-19/h2-13,16,23-25H,14-15,17H2,1H3