3-(2-hydroxyphenyl)-1-[5-(2-methylpropyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine

Systemtic Name: 3-(2-hydroxyphenyl)-1-[5-(2-methylpropyl)-2-(phenylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-isobutyl-phenyl]-3-(2-hydroxyphenyl)piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-methylpropyl)phenyl]-3-(2-hydroxyphenyl)piperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-methylpropyl)phenyl]-3-(2-hydroxyphenyl)piperazine Traditional Name: 1-[2-(besylsulfonylamino)-5-isobutyl-phenyl]-3-(2-hydroxyphenyl)piperazine Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)C4=CC=CC=C4O

InChI

InChI=1S/C26H31N3O5S2/c1-19(2)16-20-12-13-23(28-36(33,34)35(31,32)21-8-4-3-5-9-21)25(17-20)29-15-14-27-24(18-29)22-10-6-7-11-26(22)30/h3-13,17,19,24,27-28,30H,14-16,18H2,1-2H3