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

Systemtic Name: 3-ethoxy-1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Openeye Name: 3-ethoxy-1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine CAS Name: 3-ethoxy-1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine IUPAC Name: 3-ethoxy-1-[5-(2-methylpropyl)-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-ethoxy-1-[5-isobutyl-2-(phenoxysulfonylsulfonylamino)phenyl]piperazine Formula: C22H31N3O6S2 MolecularWeight: 497.62804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC(C)C)NS(=O)(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC(C)C)NS(=O)(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O6S2/c1-4-30-22-16-25(13-12-23-22)21-15-18(14-17(2)3)10-11-20(21)24-32(26,27)33(28,29)31-19-8-6-5-7-9-19/h5-11,15,17,22-24H,4,12-14,16H2,1-3H3