N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-(2-thienyl)pyrazole-4-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-thiophen-2-ylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-piperonyl-3-(2-thienyl)pyrazole-4-sulfonamide Formula: C22H19N3O4S2 MolecularWeight: 453.53396

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C22H19N3O4S2/c26-31(27,23-12-17-8-9-18-19(11-17)29-15-28-18)21-14-25(13-16-5-2-1-3-6-16)24-22(21)20-7-4-10-30-20/h1-11,14,23H,12-13,15H2