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

Systemtic Name: phenyl 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-benzyl-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonate CAS Name: 4-[2-[(2-hydroxyphenyl)sulfonylamino]-5-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-benzyl-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-benzyl-2-[(2-hydroxyphenyl)sulfonylamino]phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C29H29N3O6S2 MolecularWeight: 579.68706

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)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)CC4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5O

InChI

InChI=1S/C29H29N3O6S2/c33-27-13-7-8-14-28(27)39(34,35)31-25-16-15-23(19-22-9-3-1-4-10-22)20-26(25)32-18-17-30-29(21-32)40(36,37)38-24-11-5-2-6-12-24/h1-16,20,29-31,33H,17-19,21H2