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

Systemtic Name: 1-(phenylsulfonyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol Openeye Name: 1-(benzenesulfonyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol CAS Name: 1-(benzenesulfonyl)-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-2H-isoquinolin-6-ol IUPAC Name: 1-(benzenesulfonyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol Traditional Name: 1-besyl-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-2H-isoquinolin-6-ol Formula: C27H30N2O4S MolecularWeight: 478.6031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3(C4=C(CCN3)C=C(C=C4)O)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3(C4=C(CCN3)C=C(C=C4)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4S/c30-23-10-13-26-21(20-23)14-15-28-27(26,34(31,32)25-6-2-1-3-7-25)22-8-11-24(12-9-22)33-19-18-29-16-4-5-17-29/h1-3,6-13,20,28,30H,4-5,14-19H2