N-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-tert-butyl-pyrazole-4-sulfonamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-tert-butyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-3-tert-butylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-piperonyl-pyrazole-4-sulfonamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4S/c1-22(2,3)21-20(14-25(24-21)13-16-7-5-4-6-8-16)30(26,27)23-12-17-9-10-18-19(11-17)29-15-28-18/h4-11,14,23H,12-13,15H2,1-3H3