phenyl 4-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(2-hydroxyphenyl)-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(2-hydroxyphenyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-(2-hydroxyphenyl)-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O8S3 MolecularWeight: 595.70806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)S(=O)(=O)NC1=C(C=C(C=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O8S3/c1-18(2)38(32,33)39(34,35)27-22-13-12-19(21-10-6-7-11-24(21)29)16-23(22)28-15-14-26-25(17-28)37(30,31)36-20-8-4-3-5-9-20/h3-13,16,18,25-27,29H,14-15,17H2,1-2H3