[6-(2-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-7,8-dihydronaphthalen-2-yl] sulfamate

Systemtic Name: [6-(2-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-7,8-dihydronaphthalen-2-yl] sulfamate Openeye Name: [6-(2-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-7,8-dihydronaphthalen-2-yl] sulfamate CAS Name: sulfamic acid [6-(2-hydroxyphenyl)-5-[4-[2-(1-pyrrolidinyl)ethyl]phenyl]-7,8-dihydronaphthalen-2-yl] ester IUPAC Name: [6-(2-hydroxyphenyl)-5-[4-(2-pyrrolidin-1-ylethyl)phenyl]-7,8-dihydronaphthalen-2-yl] sulfamate Traditional Name: sulfamic acid [6-(2-hydroxyphenyl)-5-[4-(2-pyrrolidinoethyl)phenyl]-7,8-dihydronaphthalen-2-yl] ester Formula: C28H30N2O4S MolecularWeight: 490.6138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC2=CC=C(C=C2)C3=C(CCC4=C3C=CC(=C4)OS(=O)(=O)N)C5=CC=CC=C5O

Isomeric SMILES

C1CCN(C1)CCC2=CC=C(C=C2)C3=C(CCC4=C3C=CC(=C4)OS(=O)(=O)N)C5=CC=CC=C5O

InChI

InChI=1S/C28H30N2O4S/c29-35(32,33)34-23-12-14-24-22(19-23)11-13-26(25-5-1-2-6-27(25)31)28(24)21-9-7-20(8-10-21)15-18-30-16-3-4-17-30/h1-2,5-10,12,14,19,31H,3-4,11,13,15-18H2,(H2,29,32,33)