2-[[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol

Systemtic Name: 2-[[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol Openeye Name: 2-[[2-(4-isopropylsulfonylphenyl)-2-(3-methylsulfanylpiperazin-1-yl)ethyl]amino]phenol CAS Name: 2-[[2-[3-(methylthio)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol IUPAC Name: 2-[[2-(3-methylsulfanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol Traditional Name: 2-[[2-(4-isopropylsulfonylphenyl)-2-[3-(methylthio)piperazino]ethyl]amino]phenol Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)SC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)SC

InChI

InChI=1S/C22H31N3O3S2/c1-16(2)30(27,28)18-10-8-17(9-11-18)20(25-13-12-23-22(15-25)29-3)14-24-19-6-4-5-7-21(19)26/h4-11,16,20,22-24,26H,12-15H2,1-3H3