1-[2-[(2,4-dimethoxyphenyl)carbonylamino]ethylsulfonyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2,4-dimethoxyphenyl)carbonylamino]ethylsulfonyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-[(2,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(2,4-dimethoxyphenyl)-oxomethyl]amino]ethylsulfonyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2,4-dimethoxybenzoyl)amino]ethylsulfonyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(2,4-dimethoxybenzoyl)amino]ethylsulfonyl]isonipecotic acid Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC(CC2)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)NCCS(=O)(=O)N2CCC(CC2)C(=O)O)OC

InChI

InChI=1S/C17H24N2O7S/c1-25-13-3-4-14(15(11-13)26-2)16(20)18-7-10-27(23,24)19-8-5-12(6-9-19)17(21)22/h3-4,11-12H,5-10H2,1-2H3,(H,18,20)(H,21,22)