1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2S)-3-methyl-2-(p-tolylsulfonylamino)butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2S)-3-methyl-2-(tosylamino)butanoyl]isonipecotic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-12(2)16(17(21)20-10-8-14(9-11-20)18(22)23)19-26(24,25)15-6-4-13(3)5-7-15/h4-7,12,14,16,19H,8-11H2,1-3H3,(H,22,23)/t16-/m0/s1