N-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazole-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-cyclopropyl-pyrazole-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-[(3S)-1,1-dioxo-3-thiolanyl]-3-pyrazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazole-3-carboxamide Traditional Name: 5-cyclopropyl-1-[(3S)-1,1-diketothiolan-3-yl]-N-piperonyl-pyrazole-3-carboxamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NN2C3CCS(=O)(=O)C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N2C(=CC(=N2)C(=O)NCC3=CC4=C(C=C3)OCO4)C5CC5

InChI

InChI=1S/C19H21N3O5S/c23-19(20-9-12-1-4-17-18(7-12)27-11-26-17)15-8-16(13-2-3-13)22(21-15)14-5-6-28(24,25)10-14/h1,4,7-8,13-14H,2-3,5-6,9-11H2,(H,20,23)/t14-/m0/s1