methyl 3-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[(1-tetralin-6-ylsulfonylpiperidine-4-carbonyl)amino]benzoate CAS Name: 3-[[oxo-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[(1-tetralin-6-ylsulfonylisonipecotoyl)amino]benzoic acid methyl ester Formula: C24H28N2O5S MolecularWeight: 456.55452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C24H28N2O5S/c1-31-24(28)20-7-4-8-21(15-20)25-23(27)18-11-13-26(14-12-18)32(29,30)22-10-9-17-5-2-3-6-19(17)16-22/h4,7-10,15-16,18H,2-3,5-6,11-14H2,1H3,(H,25,27)