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

Systemtic Name: 1-[5-(2-methylpropyl)-2-(phenylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 1-[2-(benzenesulfonylsulfonylamino)-5-isobutyl-phenyl]-3-benzyl-piperazine CAS Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-methylpropyl)phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 1-[2-(benzenesulfonylsulfonylamino)-5-(2-methylpropyl)phenyl]-3-benzylpiperazine Traditional Name: 3-benzyl-1-[2-(besylsulfonylamino)-5-isobutyl-phenyl]piperazine Formula: C27H33N3O4S2 MolecularWeight: 527.69862

Click to see the large picture

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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O4S2/c1-21(2)17-23-13-14-26(29-36(33,34)35(31,32)25-11-7-4-8-12-25)27(19-23)30-16-15-28-24(20-30)18-22-9-5-3-6-10-22/h3-14,19,21,24,28-29H,15-18,20H2,1-2H3