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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2C4=CC=C(C=C4)OCCN5CCCC5)C=CC(=C3)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2C4=CC=C(C=C4)OCCN5CCCC5)C=CC(=C3)O

InChI

InChI=1S/C28H32N2O4S/c1-21-4-11-26(12-5-21)35(32,33)30-17-14-23-20-24(31)8-13-27(23)28(30)22-6-9-25(10-7-22)34-19-18-29-15-2-3-16-29/h4-13,20,28,31H,2-3,14-19H2,1H3