6-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]hexanoic acid Openeye Name: 6-[(1-tetralin-6-ylsulfonylpiperidine-4-carbonyl)amino]hexanoic acid CAS Name: 6-[[oxo-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinyl]methyl]amino]hexanoic acid IUPAC Name: 6-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]amino]hexanoic acid Traditional Name: 6-[(1-tetralin-6-ylsulfonylisonipecotoyl)amino]hexanoic acid Formula: C22H32N2O5S MolecularWeight: 436.56488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C22H32N2O5S/c25-21(26)8-2-1-5-13-23-22(27)18-11-14-24(15-12-18)30(28,29)20-10-9-17-6-3-4-7-19(17)16-20/h9-10,16,18H,1-8,11-15H2,(H,23,27)(H,25,26)