4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-tert-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[ethyl(piperonyl)amino]-3-nitro-benzenesulfonamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-5-22(12-14-6-9-18-19(10-14)29-13-28-18)16-8-7-15(11-17(16)23(24)25)30(26,27)21-20(2,3)4/h6-11,21H,5,12-13H2,1-4H3