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

Systemtic Name: phenyl 4-[5-(phenylsulfonyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(benzenesulfonyl)-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(benzenesulfonyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(benzenesulfonyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-besyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O9S4 MolecularWeight: 643.77246

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H29N3O9S4/c1-19(2)40(33,34)41(35,36)27-23-14-13-22(38(29,30)21-11-7-4-8-12-21)17-24(23)28-16-15-26-25(18-28)39(31,32)37-20-9-5-3-6-10-20/h3-14,17,19,25-27H,15-16,18H2,1-2H3