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

Systemtic Name: phenyl 3-(phenylmethyl)-4-[3-(phenylsulfonyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-benzyl-benzenesulfonate CAS Name: 4-[3-(benzenesulfonyl)-1-piperazinyl]-3-(phenylmethyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[3-(benzenesulfonyl)piperazin-1-yl]-3-benzylbenzenesulfonate Traditional Name: 3-benzyl-4-(3-besylpiperazino)benzenesulfonic acid phenyl ester Formula: C29H28N2O5S2 MolecularWeight: 548.67302

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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)S(=O)(=O)OC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H28N2O5S2/c32-37(33,26-14-8-3-9-15-26)29-22-31(19-18-30-29)28-17-16-27(21-24(28)20-23-10-4-1-5-11-23)38(34,35)36-25-12-6-2-7-13-25/h1-17,21,29-30H,18-20,22H2