2-[4-[2-(methylsulfanylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol

Systemtic Name: 2-[4-[2-(methylsulfanylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol Openeye Name: 2-[4-[1-(3-isopropylsulfonylpiperazin-1-yl)-2-(methylsulfanylamino)ethyl]phenyl]phenol CAS Name: N-[2-[4-(2-hydroxyphenyl)phenyl]-2-(3-propan-2-ylsulfonyl-1-piperazinyl)ethyl]methanesulfenamide IUPAC Name: 2-[4-[2-(methylsulfanylamino)-1-(3-propan-2-ylsulfonylpiperazin-1-yl)ethyl]phenyl]phenol Traditional Name: 2-[4-[1-(3-isopropylsulfonylpiperazino)-2-[(methylthio)amino]ethyl]phenyl]phenol Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3O

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C(CNSC)C2=CC=C(C=C2)C3=CC=CC=C3O

InChI

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