phenyl 4-[5-(2-hydroxyphenyl)-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-(2-hydroxyphenyl)-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(2-hydroxyphenyl)-2-[(phenylmethyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylsulfonylamino)-5-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C29H29N3O6S2 MolecularWeight: 579.68706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)C4=CC=CC=C4O)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O6S2/c33-28-14-8-7-13-25(28)23-15-16-26(31-39(34,35)21-22-9-3-1-4-10-22)27(19-23)32-18-17-30-29(20-32)40(36,37)38-24-11-5-2-6-12-24/h1-16,19,29-31,33H,17-18,20-21H2