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

Systemtic Name: phenyl 4-(methoxysulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(methoxysulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(methoxysulfonylamino)-3-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(methoxysulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(methoxysulfonylamino)-3-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C18H23N3O6S3 MolecularWeight: 473.58672

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)SC

InChI

InChI=1S/C18H23N3O6S3/c1-26-30(24,25)20-16-9-8-15(29(22,23)27-14-6-4-3-5-7-14)12-17(16)21-11-10-19-18(13-21)28-2/h3-9,12,18-20H,10-11,13H2,1-2H3