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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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