3-(2,6-dimethylpiperidin-1-yl)propyl 2-sulfanylbenzoate

Systemtic Name: 3-(2,6-dimethylpiperidin-1-yl)propyl 2-sulfanylbenzoate Openeye Name: 3-(2,6-dimethyl-1-piperidyl)propyl 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid 3-(2,6-dimethyl-1-piperidinyl)propyl ester IUPAC Name: 3-(2,6-dimethylpiperidin-1-yl)propyl 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid 3-(2,6-dimethylpiperidino)propyl ester Formula: C17H25NO2S MolecularWeight: 307.4509

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCCOC(=O)C2=CC=CC=C2S)C

Isomeric SMILES

CC1CCCC(N1CCCOC(=O)C2=CC=CC=C2S)C

InChI

InChI=1S/C17H25NO2S/c1-13-7-5-8-14(2)18(13)11-6-12-20-17(19)15-9-3-4-10-16(15)21/h3-4,9-10,13-14,21H,5-8,11-12H2,1-2H3