2-[4-(3-methylsulfanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-phenyl]phenol

Systemtic Name: 2-[4-(3-methylsulfanylpiperazin-1-yl)-3-propan-2-ylsulfonyl-phenyl]phenol Openeye Name: 2-[3-isopropylsulfonyl-4-(3-methylsulfanylpiperazin-1-yl)phenyl]phenol CAS Name: 2-[4-[3-(methylthio)-1-piperazinyl]-3-propan-2-ylsulfonylphenyl]phenol IUPAC Name: 2-[4-(3-methylsulfanylpiperazin-1-yl)-3-propan-2-ylsulfonylphenyl]phenol Traditional Name: 2-[3-isopropylsulfonyl-4-[3-(methylthio)piperazino]phenyl]phenol Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C20H26N2O3S2/c1-14(2)27(24,25)19-12-15(16-6-4-5-7-18(16)23)8-9-17(19)22-11-10-21-20(13-22)26-3/h4-9,12,14,20-21,23H,10-11,13H2,1-3H3