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

Systemtic Name: 2-[2-(3-ethoxypiperazin-1-yl)-5-propan-2-ylsulfonyl-phenyl]phenol Openeye Name: 2-[2-(3-ethoxypiperazin-1-yl)-5-isopropylsulfonyl-phenyl]phenol CAS Name: 2-[2-(3-ethoxy-1-piperazinyl)-5-propan-2-ylsulfonylphenyl]phenol IUPAC Name: 2-[2-(3-ethoxypiperazin-1-yl)-5-propan-2-ylsulfonylphenyl]phenol Traditional Name: 2-[2-(3-ethoxypiperazino)-5-isopropylsulfonyl-phenyl]phenol Formula: C21H28N2O4S MolecularWeight: 404.52302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)C3=CC=CC=C3O

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)S(=O)(=O)C(C)C)C3=CC=CC=C3O

InChI

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