phenyl 4-[5-(phenylmethyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-(phenylmethyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzenesulfonylsulfonylamino)-5-benzyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(benzenesulfonylsulfonylamino)-5-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonylsulfonylamino)-5-benzylphenyl]piperazine-2-sulfonate Traditional Name: 4-[5-benzyl-2-(besylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C29H29N3O7S3 MolecularWeight: 627.75146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29N3O7S3/c33-40(34,39-25-12-6-2-7-13-25)29-22-32(19-18-30-29)28-21-24(20-23-10-4-1-5-11-23)16-17-27(28)31-42(37,38)41(35,36)26-14-8-3-9-15-26/h1-17,21,29-31H,18-20,22H2