N-[methylsulfonyl(piperidin-4-yl)methyl]-7-nitro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine

Systemtic Name: N-[methylsulfonyl(piperidin-4-yl)methyl]-7-nitro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine Openeye Name: N-[methylsulfonyl(4-piperidyl)methyl]-7-nitro-N-propyl-tetralin-2-amine CAS Name: N-[methylsulfonyl(4-piperidinyl)methyl]-7-nitro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine IUPAC Name: N-[methylsulfonyl(piperidin-4-yl)methyl]-7-nitro-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine Traditional Name: [mesyl(4-piperidyl)methyl]-(7-nitrotetralin-2-yl)-propyl-amine Formula: C20H31N3O4S MolecularWeight: 409.54284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-])C(C3CCNCC3)S(=O)(=O)C

Isomeric SMILES

CCCN(C1CCC2=C(C1)C=C(C=C2)[N+](=O)[O-])C(C3CCNCC3)S(=O)(=O)C

InChI

InChI=1S/C20H31N3O4S/c1-3-12-22(20(28(2,26)27)16-8-10-21-11-9-16)18-6-4-15-5-7-19(23(24)25)14-17(15)13-18/h5,7,14,16,18,20-21H,3-4,6,8-13H2,1-2H3