phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-(phenylmethyl)benzenesulfonate

Systemtic Name: phenyl 4-[3-(2-hydroxyphenyl)piperazin-1-yl]-3-(phenylmethyl)benzenesulfonate Openeye Name: phenyl 3-benzyl-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate CAS Name: 4-[3-(2-hydroxyphenyl)-1-piperazinyl]-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-[3-(2-hydroxyphenyl)piperazin-1-yl]benzenesulfonate Traditional Name: 3-benzyl-4-[3-(2-hydroxyphenyl)piperazino]benzenesulfonic acid phenyl ester Formula: C29H28N2O4S MolecularWeight: 500.60862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)C2=CC=CC=C2O)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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