(4-methylpiperidin-4-yl) 4-but-2-ynoxybenzenesulfinate

Systemtic Name: (4-methylpiperidin-4-yl) 4-but-2-ynoxybenzenesulfinate Openeye Name: (4-methyl-4-piperidyl) 4-but-2-ynoxybenzenesulfinate CAS Name: 4-but-2-ynoxybenzenesulfinic acid (4-methyl-4-piperidinyl) ester IUPAC Name: (4-methylpiperidin-4-yl) 4-but-2-ynoxybenzenesulfinate Traditional Name: 4-but-2-ynoxybenzenesulfinic acid (4-methyl-4-piperidyl) ester Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)OC2(CCNCC2)C

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)OC2(CCNCC2)C

InChI

InChI=1S/C16H21NO3S/c1-3-4-13-19-14-5-7-15(8-6-14)21(18)20-16(2)9-11-17-12-10-16/h5-8,17H,9-13H2,1-2H3