2-[2-[3-(phenylsulfonyl)piperazin-1-yl]-5-propan-2-ylsulfonyl-phenyl]phenol

Systemtic Name: 2-[2-[3-(phenylsulfonyl)piperazin-1-yl]-5-propan-2-ylsulfonyl-phenyl]phenol Openeye Name: 2-[2-[3-(benzenesulfonyl)piperazin-1-yl]-5-isopropylsulfonyl-phenyl]phenol CAS Name: 2-[2-[3-(benzenesulfonyl)-1-piperazinyl]-5-propan-2-ylsulfonylphenyl]phenol IUPAC Name: 2-[2-[3-(benzenesulfonyl)piperazin-1-yl]-5-propan-2-ylsulfonylphenyl]phenol Traditional Name: 2-[2-(3-besylpiperazino)-5-isopropylsulfonyl-phenyl]phenol Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4O

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4O

InChI

InChI=1S/C25H28N2O5S2/c1-18(2)33(29,30)20-12-13-23(22(16-20)21-10-6-7-11-24(21)28)27-15-14-26-25(17-27)34(31,32)19-8-4-3-5-9-19/h3-13,16,18,25-26,28H,14-15,17H2,1-2H3