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

Systemtic Name: phenyl 4-[2-[(phenylmethyl)sulfonylamino]-5-(phenylsulfonyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(benzenesulfonyl)-2-(benzylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(benzenesulfonyl)-2-[(phenylmethyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(benzenesulfonyl)-2-(benzylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(benzylsulfonylamino)-5-besyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C29H29N3O7S3 MolecularWeight: 627.75146

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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)S(=O)(=O)C4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

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

InChI

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