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

Systemtic Name: 3-(2-hydroxyphenyl)-1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonyl-phenyl]piperazine Openeye Name: 3-(2-hydroxyphenyl)-1-[5-isopropylsulfonyl-2-(methylsulfanylsulfonylamino)phenyl]piperazine CAS Name: 3-(2-hydroxyphenyl)-1-[2-[(methylthio)sulfonylamino]-5-propan-2-ylsulfonylphenyl]piperazine IUPAC Name: 3-(2-hydroxyphenyl)-1-[2-(methylsulfanylsulfonylamino)-5-propan-2-ylsulfonylphenyl]piperazine Traditional Name: 3-(2-hydroxyphenyl)-1-[5-isopropylsulfonyl-2-[(methylthio)sulfonylamino]phenyl]piperazine Formula: C20H27N3O5S3 MolecularWeight: 485.64048

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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)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)NS(=O)(=O)SC)N2CCNC(C2)C3=CC=CC=C3O

InChI

InChI=1S/C20H27N3O5S3/c1-14(2)30(25,26)15-8-9-17(22-31(27,28)29-3)19(12-15)23-11-10-21-18(13-23)16-6-4-5-7-20(16)24/h4-9,12,14,18,21-22,24H,10-11,13H2,1-3H3