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

Systemtic Name: 2-butylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-butylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-butylsulfonyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-butylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-butylsulfonyl-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Formula: C25H34N2O4S MolecularWeight: 458.61346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC2=C(C1C3=CC=C(C=C3)OCCN4CCCC4)C=CC(=C2)O

Isomeric SMILES

CCCCS(=O)(=O)N1CCC2=C(C1C3=CC=C(C=C3)OCCN4CCCC4)C=CC(=C2)O

InChI

InChI=1S/C25H34N2O4S/c1-2-3-18-32(29,30)27-15-12-21-19-22(28)8-11-24(21)25(27)20-6-9-23(10-7-20)31-17-16-26-13-4-5-14-26/h6-11,19,25,28H,2-5,12-18H2,1H3