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

Systemtic Name: 2-[[2-[3-(phenylmethyl)piperazin-1-yl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol Openeye Name: 2-[[2-(3-benzylpiperazin-1-yl)-2-(4-isopropylsulfonylphenyl)ethyl]amino]phenol CAS Name: 2-[[2-[3-(phenylmethyl)-1-piperazinyl]-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol IUPAC Name: 2-[[2-(3-benzylpiperazin-1-yl)-2-(4-propan-2-ylsulfonylphenyl)ethyl]amino]phenol Traditional Name: 2-[[2-(3-benzylpiperazino)-2-(4-isopropylsulfonylphenyl)ethyl]amino]phenol Formula: C28H35N3O3S MolecularWeight: 493.6608

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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)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)C(CNC2=CC=CC=C2O)N3CCNC(C3)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O3S/c1-21(2)35(33,34)25-14-12-23(13-15-25)27(19-30-26-10-6-7-11-28(26)32)31-17-16-29-24(20-31)18-22-8-4-3-5-9-22/h3-15,21,24,27,29-30,32H,16-20H2,1-2H3