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

Systemtic Name: phenyl 4-[5-ethyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-ethyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-ethyl-2-(phenoxysulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-ethyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-ethyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H27N3O8S3 MolecularWeight: 581.68148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C24H27N3O8S3/c1-2-19-13-14-22(26-37(30,31)38(32,33)35-21-11-7-4-8-12-21)23(17-19)27-16-15-25-24(18-27)36(28,29)34-20-9-5-3-6-10-20/h3-14,17,24-26H,2,15-16,18H2,1H3