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

Systemtic Name: 3-fluoranyl-1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 3-fluoro-1-[5-isopropylsulfonyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 3-fluoro-1-[2-[(methylthio)sulfonylamino]-5-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 3-fluoro-1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine Traditional Name: 3-fluoro-1-[5-isopropylsulfonyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C14H22FN3O4S3 MolecularWeight: 411.535583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FN3O4S3/c1-10(2)24(19,20)11-4-5-12(17-25(21,22)23-3)13(8-11)18-7-6-16-14(15)9-18/h4-5,8,10,14,16-17H,6-7,9H2,1-3H3