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

Systemtic Name: 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylamino]terephthalic acid Openeye Name: 2-[(1-tetralin-6-ylsulfonylpiperidine-4-carbonyl)amino]terephthalic acid CAS Name: 2-[[oxo-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinyl]methyl]amino]terephthalic acid IUPAC Name: 2-[[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]amino]terephthalic acid Traditional Name: 2-[(1-tetralin-6-ylsulfonylisonipecotoyl)amino]terephthalic acid Formula: C24H26N2O7S MolecularWeight: 486.53744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C24H26N2O7S/c27-22(25-21-14-18(23(28)29)6-8-20(21)24(30)31)16-9-11-26(12-10-16)34(32,33)19-7-5-15-3-1-2-4-17(15)13-19/h5-8,13-14,16H,1-4,9-12H2,(H,25,27)(H,28,29)(H,30,31)