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

Systemtic Name: phenyl 4-(ethoxysulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(ethoxysulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(ethoxysulfonylamino)-3-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(ethoxysulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(ethoxysulfonylamino)-3-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C19H25N3O6S3 MolecularWeight: 487.6133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S3/c1-3-27-31(25,26)21-17-10-9-16(30(23,24)28-15-7-5-4-6-8-15)13-18(17)22-12-11-20-19(14-22)29-2/h4-10,13,19-21H,3,11-12,14H2,1-2H3