2-[3-(phenylmethyl)-4-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol

Systemtic Name: 2-[3-(phenylmethyl)-4-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol Openeye Name: 2-[3-benzyl-4-(3-isopropylsulfonylpiperazin-1-yl)phenyl]phenol CAS Name: 2-[3-(phenylmethyl)-4-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]phenol IUPAC Name: 2-[3-benzyl-4-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol Traditional Name: 2-[3-benzyl-4-(3-isopropylsulfonylpiperazino)phenyl]phenol Formula: C26H30N2O3S MolecularWeight: 450.593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)S(=O)(=O)C1CN(CCN1)C2=C(C=C(C=C2)C3=CC=CC=C3O)CC4=CC=CC=C4

InChI

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