phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(phenylsulfonylamino)ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[1-[4-(2-hydroxyphenyl)phenyl]-2-(phenylsulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzenesulfonamido)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(benzenesulfonamido)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonamido)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzenesulfonamido)-1-[4-(2-hydroxyphenyl)phenyl]ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C30H31N3O6S2 MolecularWeight: 593.71364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=CC=C5O

InChI

InChI=1S/C30H31N3O6S2/c34-29-14-8-7-13-27(29)23-15-17-24(18-16-23)28(21-32-40(35,36)26-11-5-2-6-12-26)33-20-19-31-30(22-33)41(37,38)39-25-9-3-1-4-10-25/h1-18,28,30-32,34H,19-22H2