1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[[3-(methylthio)anilino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[[3-(methylthio)phenyl]carbamoyl]nipecotic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCCC(C2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c1-20-12-6-2-5-11(8-12)15-14(19)16-7-3-4-10(9-16)13(17)18/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,15,19)(H,17,18)