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

Systemtic Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine Openeye Name: 3-benzyl-1-[5-ethyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine CAS Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(phenylmethyl)piperazine IUPAC Name: 3-benzyl-1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine Traditional Name: 3-benzyl-1-[5-ethyl-2-(isopropylsulfonylsulfonylamino)phenyl]piperazine Formula: C22H31N3O4S2 MolecularWeight: 465.62924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=C(C=C1)NS(=O)(=O)S(=O)(=O)C(C)C)N2CCNC(C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O4S2/c1-4-18-10-11-21(24-31(28,29)30(26,27)17(2)3)22(15-18)25-13-12-23-20(16-25)14-19-8-6-5-7-9-19/h5-11,15,17,20,23-24H,4,12-14,16H2,1-3H3