1-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[5-(2-azanyl-2-oxidanylidene-ethoxy)-2-chloranyl-4-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[5-(2-amino-2-oxo-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[5-(2-amino-2-oxoethoxy)-2-chloro-4-methylphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[5-(2-amino-2-keto-ethoxy)-2-chloro-4-methyl-phenyl]sulfonylisonipecotic acid Formula: C15H19ClN2O6S MolecularWeight: 390.83916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=C(C=C1OCC(=O)N)S(=O)(=O)N2CCC(CC2)C(=O)O)Cl

InChI

InChI=1S/C15H19ClN2O6S/c1-9-6-11(16)13(7-12(9)24-8-14(17)19)25(22,23)18-4-2-10(3-5-18)15(20)21/h6-7,10H,2-5,8H2,1H3,(H2,17,19)(H,20,21)