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

Systemtic Name: phenyl 4-[2-(phenoxysulfonylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-benzyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(phenoxysulfonylsulfonylamino)-5-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-benzyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-benzyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C29H29N3O8S3 MolecularWeight: 643.75086

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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)OC5=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)OC5=CC=CC=C5

InChI

InChI=1S/C29H29N3O8S3/c33-41(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(35,36)43(37,38)40-26-14-8-3-9-15-26/h1-17,21,29-31H,18-20,22H2