N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethyloxy)-2-(phenylmethyl)pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethyloxy)-2-(phenylmethyl)pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-2-benzyl-5-(2-hydroxyethoxy)pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyethoxy)-2-(phenylmethyl)-3-pyrazolyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-2-benzyl-5-(2-hydroxyethoxy)pyrazol-3-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-2-benzyl-5-(2-hydroxyethoxy)pyrazol-3-yl]-4-tert-butyl-benzenesulfonamide Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2CC3=CC=CC=C3)OCCO)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NN2CC3=CC=CC=C3)OCCO)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H31N3O6S/c1-29(2,3)22-10-12-23(13-11-22)39(34,35)31-27-26(21-9-14-24-25(17-21)38-19-37-24)28(36-16-15-33)30-32(27)18-20-7-5-4-6-8-20/h4-14,17,31,33H,15-16,18-19H2,1-3H3