3-(4-ethanoyl-4-phenyl-piperidin-1-yl)propane-1-sulfonic acid

Systemtic Name: 3-(4-ethanoyl-4-phenyl-piperidin-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-acetyl-4-phenyl-1-piperidyl)propane-1-sulfonic acid CAS Name: 3-(4-acetyl-4-phenyl-1-piperidinyl)-1-propanesulfonic acid IUPAC Name: 3-(4-acetyl-4-phenylpiperidin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-acetyl-4-phenyl-piperidino)propane-1-sulfonic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCN(CC1)CCCS(=O)(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1(CCN(CC1)CCCS(=O)(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H23NO4S/c1-14(18)16(15-6-3-2-4-7-15)8-11-17(12-9-16)10-5-13-22(19,20)21/h2-4,6-7H,5,8-13H2,1H3,(H,19,20,21)