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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-(phenylsulfonyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(benzenesulfonyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(benzenesulfonyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(benzenesulfonyl)-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-besyl-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H27N3O8S3 MolecularWeight: 629.72428

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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)C5=CC=CC=C5O

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)C5=CC=CC=C5O

InChI

InChI=1S/C28H27N3O8S3/c32-26-13-7-8-14-27(26)41(35,36)30-24-16-15-23(40(33,34)22-11-5-2-6-12-22)19-25(24)31-18-17-29-28(20-31)42(37,38)39-21-9-3-1-4-10-21/h1-16,19,28-30,32H,17-18,20H2