4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-tert-butyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)ethylamino]-N-tert-butyl-3-nitro-benzenesulfonamide Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC3=C(C=C(C=C3)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-12(13-5-8-17-18(9-13)28-11-27-17)20-15-7-6-14(10-16(15)22(23)24)29(25,26)21-19(2,3)4/h5-10,12,20-21H,11H2,1-4H3