methyl 3-[4-[(4-cyanophenoxy)methyl]piperidin-1-yl]propane-1-sulfonate

Systemtic Name: methyl 3-[4-[(4-cyanophenoxy)methyl]piperidin-1-yl]propane-1-sulfonate Openeye Name: methyl 3-[4-[(4-cyanophenoxy)methyl]-1-piperidyl]propane-1-sulfonate CAS Name: 3-[4-[(4-cyanophenoxy)methyl]-1-piperidinyl]-1-propanesulfonic acid IUPAC Name: methyl 3-[4-[(4-cyanophenoxy)methyl]piperidin-1-yl]propane-1-sulfonate Traditional Name: 3-[4-[(4-cyanophenoxy)methyl]piperidino]propane-1-sulfonic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCCN1CCC(CC1)COC2=CC=C(C=C2)C#N

Isomeric SMILES

COS(=O)(=O)CCCN1CCC(CC1)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H24N2O4S/c1-22-24(20,21)12-2-9-19-10-7-16(8-11-19)14-23-17-5-3-15(13-18)4-6-17/h3-6,16H,2,7-12,14H2,1H3