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

Systemtic Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine Openeye Name: 1-[5-ethyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-methylsulfanyl-piperazine CAS Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-(methylthio)piperazine IUPAC Name: 1-[5-ethyl-2-(propan-2-ylsulfonylsulfonylamino)phenyl]-3-methylsulfanylpiperazine Traditional Name: 1-[5-ethyl-2-(isopropylsulfonylsulfonylamino)phenyl]-3-(methylthio)piperazine Formula: C16H27N3O4S3 MolecularWeight: 421.59828

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O4S3/c1-5-13-6-7-14(18-26(22,23)25(20,21)12(2)3)15(10-13)19-9-8-17-16(11-19)24-4/h6-7,10,12,16-18H,5,8-9,11H2,1-4H3