3-(phenylmethyl)-1-[2-(propan-2-ylsulfonylsulfonylamino)-5-propyl-phenyl]piperazine

Systemtic Name: 3-(phenylmethyl)-1-[2-(propan-2-ylsulfonylsulfonylamino)-5-propyl-phenyl]piperazine Openeye Name: 3-benzyl-1-[2-(isopropylsulfonylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 3-(phenylmethyl)-1-[2-(propan-2-ylsulfonylsulfonylamino)-5-propylphenyl]piperazine IUPAC Name: 3-benzyl-1-[2-(propan-2-ylsulfonylsulfonylamino)-5-propylphenyl]piperazine Traditional Name: 3-benzyl-1-[2-(isopropylsulfonylsulfonylamino)-5-propyl-phenyl]piperazine Formula: C23H33N3O4S2 MolecularWeight: 479.65582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C23H33N3O4S2/c1-4-8-19-11-12-22(25-32(29,30)31(27,28)18(2)3)23(16-19)26-14-13-24-21(17-26)15-20-9-6-5-7-10-20/h5-7,9-12,16,18,21,24-25H,4,8,13-15,17H2,1-3H3