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

Systemtic Name: phenyl 3-(2-hydroxyphenyl)-4-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-(2-hydroxyphenyl)benzenesulfonate CAS Name: 3-(2-hydroxyphenyl)-4-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-(2-hydroxyphenyl)benzenesulfonate Traditional Name: 4-(3-benzylpiperazino)-3-(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)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)OC4=CC=CC=C4)C5=CC=CC=C5O

InChI

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