phenyl 4-[2-phenoxysulfonyl-4-(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-phenoxysulfonyl-4-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(4-benzyl-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[2-phenoxysulfonyl-4-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-benzyl-2-phenoxysulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-(4-benzyl-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonic acid phenyl ester Formula: C29H28N2O6S2 MolecularWeight: 564.67242

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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)S(=O)(=O)OC5=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)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O6S2/c32-38(33,36-25-12-6-2-7-13-25)28-21-24(20-23-10-4-1-5-11-23)16-17-27(28)31-19-18-30-29(22-31)39(34,35)37-26-14-8-3-9-15-26/h1-17,21,29-30H,18-20,22H2