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

Systemtic Name: 2-[[2-(3-bromanylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol Openeye Name: 2-[[2-(3-bromopiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]amino]phenol CAS Name: 2-[[2-(3-bromo-1-piperazinyl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol IUPAC Name: 2-[[2-(3-bromopiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol Traditional Name: 2-[[2-(3-bromopiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]amino]phenol Formula: C21H28BrN3O3S MolecularWeight: 482.43432

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3O3S/c1-15(2)29(27,28)17-9-7-16(8-10-17)19(25-12-11-23-21(22)14-25)13-24-18-5-3-4-6-20(18)26/h3-10,15,19,21,23-24,26H,11-14H2,1-2H3