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

Systemtic Name: phenyl 4-[5-methyl-2-(phenylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(benzenesulfonylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(benzenesulfonylsulfonylamino)-5-methylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(benzenesulfonylsulfonylamino)-5-methylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(besylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H25N3O7S3 MolecularWeight: 551.6555

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O7S3/c1-18-12-13-21(25-36(31,32)35(29,30)20-10-6-3-7-11-20)22(16-18)26-15-14-24-23(17-26)34(27,28)33-19-8-4-2-5-9-19/h2-13,16,23-25H,14-15,17H2,1H3