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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-tert-butyl-pyrazole-4-sulfonamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-tert-butyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-tert-butylpyrazole-4-sulfonamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-benzyl-3-tert-butyl-pyrazole-4-sulfonamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S/c1-21(2,3)20-19(13-24(22-20)12-15-7-5-4-6-8-15)29(25,26)23-16-9-10-17-18(11-16)28-14-27-17/h4-11,13,23H,12,14H2,1-3H3