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

Systemtic Name: 1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(1-tetralin-6-ylsulfonylpiperidine-4-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[oxo-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-4-piperidinyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-(1-tetralin-6-ylsulfonylisonipecotoyl)isonipecotic acid Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCC(CC4)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H30N2O5S/c25-21(23-11-7-18(8-12-23)22(26)27)17-9-13-24(14-10-17)30(28,29)20-6-5-16-3-1-2-4-19(16)15-20/h5-6,15,17-18H,1-4,7-14H2,(H,26,27)