2-[4-(4-methylsulfanyl-2-propan-2-ylsulfonyl-phenyl)piperazin-2-yl]phenol

Systemtic Name: 2-[4-(4-methylsulfanyl-2-propan-2-ylsulfonyl-phenyl)piperazin-2-yl]phenol Openeye Name: 2-[4-(2-isopropylsulfonyl-4-methylsulfanyl-phenyl)piperazin-2-yl]phenol CAS Name: 2-[4-[4-(methylthio)-2-propan-2-ylsulfonylphenyl]-2-piperazinyl]phenol IUPAC Name: 2-[4-(4-methylsulfanyl-2-propan-2-ylsulfonylphenyl)piperazin-2-yl]phenol Traditional Name: 2-[4-[2-isopropylsulfonyl-4-(methylthio)phenyl]piperazin-2-yl]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)SC)N2CCNC(C2)C3=CC=CC=C3O

Isomeric SMILES

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

InChI

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