1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-propan-2-ylsulfonyl-piperazine

Systemtic Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-propan-2-ylsulfonyl-piperazine Openeye Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-isopropylsulfonyl-piperazine CAS Name: 1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]-3-propan-2-ylsulfonylpiperazine IUPAC Name: 1-[5-ethyl-2-(methylsulfanylsulfonylamino)phenyl]-3-propan-2-ylsulfonylpiperazine Traditional Name: 1-[5-ethyl-2-[(methylthio)sulfonylamino]phenyl]-3-isopropylsulfonyl-piperazine Formula: C16H27N3O4S3 MolecularWeight: 421.59828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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