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

Systemtic Name: phenyl 4-[5-phenyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(isopropylsulfonylsulfonylamino)-5-phenyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[5-phenyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-phenyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(isopropylsulfonylsulfonylamino)-5-phenyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O7S3 MolecularWeight: 579.70866

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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=C2)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=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O7S3/c1-19(2)37(31,32)38(33,34)27-23-14-13-21(20-9-5-3-6-10-20)17-24(23)28-16-15-26-25(18-28)36(29,30)35-22-11-7-4-8-12-22/h3-14,17,19,25-27H,15-16,18H2,1-2H3