N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[2-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-phenyl-pyrazol-3-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-3,4-dimethoxy-benzamide CAS Name: N-[2-[(3S)-1,1-dioxo-3-thiolanyl]-5-phenyl-3-pyrazolyl]-3,4-dimethoxybenzamide IUPAC Name: N-[2-[(3S)-1,1-dioxothiolan-3-yl]-5-phenylpyrazol-3-yl]-3,4-dimethoxybenzamide Traditional Name: N-[2-[(3S)-1,1-diketothiolan-3-yl]-5-phenyl-pyrazol-3-yl]-3,4-dimethoxy-benzamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2C3CCS(=O)(=O)C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2[C@H]3CCS(=O)(=O)C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H23N3O5S/c1-29-19-9-8-16(12-20(19)30-2)22(26)23-21-13-18(15-6-4-3-5-7-15)24-25(21)17-10-11-31(27,28)14-17/h3-9,12-13,17H,10-11,14H2,1-2H3,(H,23,26)/t17-/m0/s1