2-[5-ethoxy-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol

Systemtic Name: 2-[5-ethoxy-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol Openeye Name: 2-[5-ethoxy-2-(3-isopropylsulfonylpiperazin-1-yl)phenyl]phenol CAS Name: 2-[5-ethoxy-2-(3-propan-2-ylsulfonyl-1-piperazinyl)phenyl]phenol IUPAC Name: 2-[5-ethoxy-2-(3-propan-2-ylsulfonylpiperazin-1-yl)phenyl]phenol Traditional Name: 2-[5-ethoxy-2-(3-isopropylsulfonylpiperazino)phenyl]phenol Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C(C)C)C3=CC=CC=C3O

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)C(C)C)C3=CC=CC=C3O

InChI

InChI=1S/C21H28N2O4S/c1-4-27-16-9-10-19(18(13-16)17-7-5-6-8-20(17)24)23-12-11-22-21(14-23)28(25,26)15(2)3/h5-10,13,15,21-22,24H,4,11-12,14H2,1-3H3