4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonylmethyl)aniline

Systemtic Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonylmethyl)aniline Openeye Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonylmethyl)aniline CAS Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonylmethyl)aniline IUPAC Name: 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonylmethyl)aniline Traditional Name: [4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylsulfonylmethyl)phenyl]amine Formula: C16H24N2O2S MolecularWeight: 308.43896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2CN(CCC2C1)S(=O)(=O)CC3=CC=C(C=C3)N

Isomeric SMILES

C1CCC2CN(CCC2C1)S(=O)(=O)CC3=CC=C(C=C3)N

InChI

InChI=1S/C16H24N2O2S/c17-16-7-5-13(6-8-16)12-21(19,20)18-10-9-14-3-1-2-4-15(14)11-18/h5-8,14-15H,1-4,9-12,17H2