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

Systemtic Name: 2-[3-(2-methylpropyl)-4-[3-(phenylsulfonyl)piperazin-1-yl]phenyl]phenol Openeye Name: 2-[4-[3-(benzenesulfonyl)piperazin-1-yl]-3-isobutyl-phenyl]phenol CAS Name: 2-[4-[3-(benzenesulfonyl)-1-piperazinyl]-3-(2-methylpropyl)phenyl]phenol IUPAC Name: 2-[4-[3-(benzenesulfonyl)piperazin-1-yl]-3-(2-methylpropyl)phenyl]phenol Traditional Name: 2-[4-(3-besylpiperazino)-3-isobutyl-phenyl]phenol Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=C(C=CC(=C1)C2=CC=CC=C2O)N3CCNC(C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H30N2O3S/c1-19(2)16-21-17-20(23-10-6-7-11-25(23)29)12-13-24(21)28-15-14-27-26(18-28)32(30,31)22-8-4-3-5-9-22/h3-13,17,19,26-27,29H,14-16,18H2,1-2H3