1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-methyl-5-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-methyl-5-piperidinosulfonyl-benzoyl)isonipecotic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C19H26N2O5S/c1-14-5-6-16(27(25,26)21-9-3-2-4-10-21)13-17(14)18(22)20-11-7-15(8-12-20)19(23)24/h5-6,13,15H,2-4,7-12H2,1H3,(H,23,24)