4-[2-(methylsulfanylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-ol

Systemtic Name: 4-[2-(methylsulfanylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-ol Openeye Name: 4-[1-(4-isopropylsulfonylphenyl)-2-(methylsulfanylamino)ethyl]piperazin-2-ol CAS Name: N-[2-(3-hydroxy-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]methanesulfenamide IUPAC Name: 4-[2-(methylsulfanylamino)-1-(4-propan-2-ylsulfonylphenyl)ethyl]piperazin-2-ol Traditional Name: 4-[1-(4-isopropylsulfonylphenyl)-2-[(methylthio)amino]ethyl]piperazin-2-ol Formula: C16H27N3O3S2 MolecularWeight: 373.53388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNSC)N2CCNC(C2)O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNSC)N2CCNC(C2)O

InChI

InChI=1S/C16H27N3O3S2/c1-12(2)24(21,22)14-6-4-13(5-7-14)15(10-18-23-3)19-9-8-17-16(20)11-19/h4-7,12,15-18,20H,8-11H2,1-3H3