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

Systemtic Name: phenyl 4-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C26H31N3O8S3 MolecularWeight: 609.73464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=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

CC(C)CC1=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/C26H31N3O8S3/c1-20(2)17-21-13-14-24(28-39(32,33)40(34,35)37-23-11-7-4-8-12-23)25(18-21)29-16-15-27-26(19-29)38(30,31)36-22-9-5-3-6-10-22/h3-14,18,20,26-28H,15-17,19H2,1-2H3