1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)anilino]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]carbamoyl]nipecotic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3S/c1-20-12-6-4-11(5-7-12)15-14(19)16-8-2-3-10(9-16)13(17)18/h4-7,10H,2-3,8-9H2,1H3,(H,15,19)(H,17,18)