2-[4-[3-(phenylsulfonyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-phenyl]phenol

Systemtic Name: 2-[4-[3-(phenylsulfonyl)piperazin-1-yl]-3-propan-2-ylsulfonyl-phenyl]phenol Openeye Name: 2-[4-[3-(benzenesulfonyl)piperazin-1-yl]-3-isopropylsulfonyl-phenyl]phenol CAS Name: 2-[4-[3-(benzenesulfonyl)-1-piperazinyl]-3-propan-2-ylsulfonylphenyl]phenol IUPAC Name: 2-[4-[3-(benzenesulfonyl)piperazin-1-yl]-3-propan-2-ylsulfonylphenyl]phenol Traditional Name: 2-[4-(3-besylpiperazino)-3-isopropylsulfonyl-phenyl]phenol Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

InChI

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