1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[(3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3S)-1-(4-methoxyphenyl)sulfonylnipecotoyl]isonipecotic acid Formula: C19H26N2O6S MolecularWeight: 410.48454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H26N2O6S/c1-27-16-4-6-17(7-5-16)28(25,26)21-10-2-3-15(13-21)18(22)20-11-8-14(9-12-20)19(23)24/h4-7,14-15H,2-3,8-13H2,1H3,(H,23,24)/t15-/m0/s1