phenyl 4-[2,4-bis(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2,4-bis(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(2,4-dibenzylphenyl)piperazine-2-sulfonate CAS Name: 4-[2,4-bis(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2,4-dibenzylphenyl)piperazine-2-sulfonate Traditional Name: 4-(2,4-dibenzylphenyl)piperazine-2-sulfonic acid phenyl ester Formula: C30H30N2O3S MolecularWeight: 498.6358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=C(C=C3)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

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