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

Systemtic Name: 1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine CAS Name: 1-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propylphenyl]piperazine Traditional Name: 3-benzyl-1-[2-(phenoxysulfonylsulfonylamino)-5-propyl-phenyl]piperazine Formula: C26H31N3O5S2 MolecularWeight: 529.67144

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

Isomeric SMILES

CCCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)CC4=CC=CC=C4

InChI

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