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

Systemtic Name: 2-(phenylmethyl)sulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Openeye Name: 2-benzylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol CAS Name: 2-(phenylmethyl)sulfonyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydro-1H-isoquinolin-6-ol IUPAC Name: 2-benzylsulfonyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Traditional Name: 2-benzylsulfonyl-1-[4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydro-1H-isoquinolin-6-ol Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCOC2=CC=C(C=C2)C3C4=C(CCN3S(=O)(=O)CC5=CC=CC=C5)C=C(C=C4)O

Isomeric SMILES

C1CCN(C1)CCOC2=CC=C(C=C2)C3C4=C(CCN3S(=O)(=O)CC5=CC=CC=C5)C=C(C=C4)O

InChI

InChI=1S/C28H32N2O4S/c31-25-10-13-27-24(20-25)14-17-30(35(32,33)21-22-6-2-1-3-7-22)28(27)23-8-11-26(12-9-23)34-19-18-29-15-4-5-16-29/h1-3,6-13,20,28,31H,4-5,14-19,21H2