phenyl 3-(3-oxidanylpiperazin-1-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonate

Systemtic Name: phenyl 3-(3-oxidanylpiperazin-1-yl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonate Openeye Name: phenyl 4-(benzylsulfonylamino)-3-(3-hydroxypiperazin-1-yl)benzenesulfonate CAS Name: 3-(3-hydroxy-1-piperazinyl)-4-[(phenylmethyl)sulfonylamino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(benzylsulfonylamino)-3-(3-hydroxypiperazin-1-yl)benzenesulfonate Traditional Name: 4-(benzylsulfonylamino)-3-(3-hydroxypiperazino)benzenesulfonic acid phenyl ester Formula: C23H25N3O6S2 MolecularWeight: 503.5911

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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)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC(N1)O)C2=C(C=CC(=C2)S(=O)(=O)OC3=CC=CC=C3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O6S2/c27-23-16-26(14-13-24-23)22-15-20(34(30,31)32-19-9-5-2-6-10-19)11-12-21(22)25-33(28,29)17-18-7-3-1-4-8-18/h1-12,15,23-25,27H,13-14,16-17H2