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

Systemtic Name: 3-ethoxy-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine Openeye Name: 1-[5-benzyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-ethoxy-piperazine CAS Name: 3-ethoxy-1-[5-(phenylmethyl)-2-(propan-2-ylsulfonylsulfonylamino)phenyl]piperazine IUPAC Name: 1-[5-benzyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-ethoxypiperazine Traditional Name: 1-[5-benzyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-ethoxy-piperazine Formula: C22H31N3O5S2 MolecularWeight: 481.62864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)C(C)C

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=CC(=C2)CC3=CC=CC=C3)NS(=O)(=O)S(=O)(=O)C(C)C

InChI

InChI=1S/C22H31N3O5S2/c1-4-30-22-16-25(13-12-23-22)21-15-19(14-18-8-6-5-7-9-18)10-11-20(21)24-32(28,29)31(26,27)17(2)3/h5-11,15,17,22-24H,4,12-14,16H2,1-3H3