1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-2-(p-tolylsulfonylamino)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-2-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-[(4-methylphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-2-(tosylamino)propanoyl]isonipecotic acid Formula: C16H22N2O5S MolecularWeight: 354.42128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C16H22N2O5S/c1-11-3-5-14(6-4-11)24(22,23)17-12(2)15(19)18-9-7-13(8-10-18)16(20)21/h3-6,12-13,17H,7-10H2,1-2H3,(H,20,21)/t12-/m0/s1