2-(3-tert-butyl-4-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(3-tert-butyl-4-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(3-tert-butyl-4-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-(3-tert-butyl-4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(3-tert-butyl-4-ethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(3-tert-butyl-4-ethoxy-phenyl)sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C21H27NO3S MolecularWeight: 373.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(C)(C)C

InChI

InChI=1S/C21H27NO3S/c1-5-25-20-11-10-18(14-19(20)21(2,3)4)26(23,24)22-13-12-16-8-6-7-9-17(16)15-22/h6-11,14H,5,12-13,15H2,1-4H3