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

Systemtic Name: 3-(4-cyano-4-phenyl-piperidin-1-yl)propane-1-sulfonic acid Openeye Name: 3-(4-cyano-4-phenyl-1-piperidyl)propane-1-sulfonic acid CAS Name: 3-(4-cyano-4-phenyl-1-piperidinyl)-1-propanesulfonic acid IUPAC Name: 3-(4-cyano-4-phenylpiperidin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-cyano-4-phenyl-piperidino)propane-1-sulfonic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCS(=O)(=O)O

Isomeric SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CCCS(=O)(=O)O

InChI

InChI=1S/C15H20N2O3S/c16-13-15(14-5-2-1-3-6-14)7-10-17(11-8-15)9-4-12-21(18,19)20/h1-3,5-6H,4,7-12H2,(H,18,19,20)