benzene; 1-methylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol

Systemtic Name: benzene; 1-methylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol Openeye Name: benzene; 1-methylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol CAS Name: benzene; 1-methylsulfonyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-2H-isoquinolin-6-ol IUPAC Name: benzene; 1-methylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol Traditional Name: benzene; 1-mesyl-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol Formula: C28H34N2O4S MolecularWeight: 494.64556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1(C2=C(CCN1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4.C1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)C1(C2=C(CCN1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCC4.C1=CC=CC=C1

InChI

InChI=1S/C22H28N2O4S.C6H6/c1-29(26,27)22(21-9-6-19(25)16-17(21)10-11-23-22)18-4-7-20(8-5-18)28-15-14-24-12-2-3-13-24;1-2-4-6-5-3-1/h4-9,16,23,25H,2-3,10-15H2,1H3;1-6H