2-[3-(phenylmethyl)-4-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]phenol

Systemtic Name: 2-[3-(phenylmethyl)-4-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]phenol Openeye Name: 2-[4-[3-(benzenesulfonyl)piperazin-1-yl]-3-benzyl-phenyl]phenol CAS Name: 2-[4-[3-(benzenesulfonyl)-1-piperazinyl]-3-(phenylmethyl)phenyl]phenol IUPAC Name: 2-[4-[3-(benzenesulfonyl)piperazin-1-yl]-3-benzylphenyl]phenol Traditional Name: 2-[3-benzyl-4-(3-besylpiperazino)phenyl]phenol Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)C4=CC=CC=C4O)CC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3S/c32-28-14-8-7-13-26(28)23-15-16-27(24(20-23)19-22-9-3-1-4-10-22)31-18-17-30-29(21-31)35(33,34)25-11-5-2-6-12-25/h1-16,20,29-30,32H,17-19,21H2