12-(phenylsulfonyl)-16-oxa-10-azabicyclo[12.2.1]heptadeca-1(17),14-dien-4-yn-11-one

Systemtic Name: 12-(phenylsulfonyl)-16-oxa-10-azabicyclo[12.2.1]heptadeca-1(17),14-dien-4-yn-11-one Openeye Name: 12-(benzenesulfonyl)-16-oxa-10-azabicyclo[12.2.1]heptadeca-1(17),14-dien-4-yn-11-one CAS Name: 12-(benzenesulfonyl)-16-oxa-10-azabicyclo[12.2.1]heptadeca-1(17),14-dien-4-yn-11-one IUPAC Name: 12-(benzenesulfonyl)-16-oxa-10-azabicyclo[12.2.1]heptadeca-1(17),14-dien-4-yn-11-one Traditional Name: 12-besyl-16-oxa-10-azabicyclo[12.2.1]heptadeca-1(17),14-dien-4-yn-11-one Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(CC2=COC(=C2)CCC#CC1)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(CC2=COC(=C2)CCC#CC1)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c23-21-20(27(24,25)19-11-7-5-8-12-19)15-17-14-18(26-16-17)10-6-3-1-2-4-9-13-22-21/h5,7-8,11-12,14,16,20H,2,4,6,9-10,13,15H2,(H,22,23)