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

Systemtic Name: phenyl 3-(phenylmethyl)-4-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 3-benzyl-4-(3-benzylpiperazin-1-yl)benzenesulfonate CAS Name: 3-(phenylmethyl)-4-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-benzyl-4-(3-benzylpiperazin-1-yl)benzenesulfonate Traditional Name: 3-benzyl-4-(3-benzylpiperazino)benzenesulfonic acid phenyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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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)CC5=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)CC5=CC=CC=C5

InChI

InChI=1S/C30H30N2O3S/c33-36(34,35-28-14-8-3-9-15-28)29-16-17-30(26(22-29)20-24-10-4-1-5-11-24)32-19-18-31-27(23-32)21-25-12-6-2-7-13-25/h1-17,22,27,31H,18-21,23H2