N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2-methoxy-benzamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2-methoxy-benzamide Openeye Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2-methoxy-benzamide CAS Name: N-[2-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolyl]-2-methoxybenzamide IUPAC Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-2-methoxybenzamide Traditional Name: N-[2-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-2-methoxy-benzamide Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c1-28-19-10-6-5-9-17(19)21(25)22-20-13-18(15-7-3-2-4-8-15)23-24(20)16-11-12-29(26,27)14-16/h2-10,13,16H,11-12,14H2,1H3,(H,22,25)/t16-/m0/s1