1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(phenylsulfonyl)piperazine

Systemtic Name: 1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]-3-(phenylsulfonyl)piperazine Openeye Name: 3-(benzenesulfonyl)-1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine CAS Name: 3-(benzenesulfonyl)-1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine IUPAC Name: 3-(benzenesulfonyl)-1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-besyl-1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Formula: C26H31N3O7S3 MolecularWeight: 593.73524

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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)C4=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)C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O7S3/c1-20(2)17-21-13-14-24(28-38(32,33)39(34,35)36-22-9-5-3-6-10-22)25(18-21)29-16-15-27-26(19-29)37(30,31)23-11-7-4-8-12-23/h3-14,18,20,26-28H,15-17,19H2,1-2H3