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

Systemtic Name: phenyl 4-(chloranylsulfonylamino)-3-(3-oxidanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(chlorosulfonylamino)-3-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 4-(chlorosulfonylamino)-3-(3-hydroxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(chlorosulfonylamino)-3-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 4-(chlorosulfonylamino)-3-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C16H18ClN3O6S2 MolecularWeight: 447.91362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)O)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)Cl

Isomeric SMILES

C1CN(CC(N1)O)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)Cl

InChI

InChI=1S/C16H18ClN3O6S2/c17-28(24,25)19-14-7-6-13(10-15(14)20-9-8-18-16(21)11-20)27(22,23)26-12-4-2-1-3-5-12/h1-7,10,16,18-19,21H,8-9,11H2