phenyl 4-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C25H29N3O8S3 MolecularWeight: 595.70806

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

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