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

Systemtic Name: phenyl 3-phenyl-4-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-phenyl-benzenesulfonate CAS Name: 3-phenyl-4-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(3-benzylpiperazin-1-yl)-3-phenylbenzenesulfonate Traditional Name: 4-(3-benzylpiperazino)-3-phenyl-benzenesulfonic acid phenyl ester Formula: C29H28N2O3S MolecularWeight: 484.60922

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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=C5

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=C5

InChI

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