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

Systemtic Name: phenyl 4-[2-(2-hydroxyphenyl)-4-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[4-benzyl-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(2-hydroxyphenyl)-4-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[4-benzyl-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[4-benzyl-2-(2-hydroxyphenyl)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)CC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)CC4=CC=CC=C4)C5=CC=CC=C5O

InChI

InChI=1S/C29H28N2O4S/c32-28-14-8-7-13-25(28)26-20-23(19-22-9-3-1-4-10-22)15-16-27(26)31-18-17-30-29(21-31)36(33,34)35-24-11-5-2-6-12-24/h1-16,20,29-30,32H,17-19,21H2