[(Z)-6-[(2S)-5-oxidanylidenepyrrolidin-2-yl]hex-5-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-6-[(2S)-5-oxidanylidenepyrrolidin-2-yl]hex-5-enyl] 4-methylbenzenesulfonate Openeye Name: [(Z)-6-[(2S)-5-oxopyrrolidin-2-yl]hex-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-6-[(2S)-5-oxo-2-pyrrolidinyl]hex-5-enyl] ester IUPAC Name: [(Z)-6-[(2S)-5-oxopyrrolidin-2-yl]hex-5-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-6-[(2S)-5-ketopyrrolidin-2-yl]hex-5-enyl] ester Formula: C17H23NO4S MolecularWeight: 337.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC=CC2CCC(=O)N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC/C=C\[C@@H]2CCC(=O)N2

InChI

InChI=1S/C17H23NO4S/c1-14-7-10-16(11-8-14)23(20,21)22-13-5-3-2-4-6-15-9-12-17(19)18-15/h4,6-8,10-11,15H,2-3,5,9,12-13H2,1H3,(H,18,19)/b6-4-/t15-/m1/s1