1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-(1-tosylisonipecotoyl)isonipecotic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-14-2-4-17(5-3-14)27(25,26)21-12-8-15(9-13-21)18(22)20-10-6-16(7-11-20)19(23)24/h2-5,15-16H,6-13H2,1H3,(H,23,24)