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

Systemtic Name: phenyl 4-(chloranylsulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(chlorosulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate CAS Name: 4-(chlorosulfonylamino)-3-[3-(methylthio)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(chlorosulfonylamino)-3-(3-methylsulfanylpiperazin-1-yl)benzenesulfonate Traditional Name: 4-(chlorosulfonylamino)-3-[3-(methylthio)piperazino]benzenesulfonic acid phenyl ester Formula: C17H20ClN3O5S3 MolecularWeight: 478.0058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O5S3/c1-27-17-12-21(10-9-19-17)16-11-14(7-8-15(16)20-29(18,24)25)28(22,23)26-13-5-3-2-4-6-13/h2-8,11,17,19-20H,9-10,12H2,1H3