phenyl 5-(2-hydroxyphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 5-(2-hydroxyphenyl)-2-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 2-(3-benzylpiperazin-1-yl)-5-(2-hydroxyphenyl)benzenesulfonate CAS Name: 5-(2-hydroxyphenyl)-2-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 2-(3-benzylpiperazin-1-yl)-5-(2-hydroxyphenyl)benzenesulfonate Traditional Name: 2-(3-benzylpiperazino)-5-(2-hydroxyphenyl)benzenesulfonic acid phenyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)S(=O)(=O)OC5=CC=CC=C5

InChI

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