1-[4-methyl-3-[methyl(propyl)sulfamoyl]phenyl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[4-methyl-3-[methyl(propyl)sulfamoyl]phenyl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-methyl-3-[methyl(propyl)sulfamoyl]benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-methyl-3-[methyl(propyl)sulfamoyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[4-methyl-3-[methyl(propyl)sulfamoyl]benzoyl]piperidine-4-carboxylic acid Traditional Name: 1-[4-methyl-3-[methyl(propyl)sulfamoyl]benzoyl]isonipecotic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)O)C

Isomeric SMILES

CCCN(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)N2CCC(CC2)C(=O)O)C

InChI

InChI=1S/C18H26N2O5S/c1-4-9-19(3)26(24,25)16-12-15(6-5-13(16)2)17(21)20-10-7-14(8-11-20)18(22)23/h5-6,12,14H,4,7-11H2,1-3H3,(H,22,23)