N-tert-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-3-nitro-benzenesulfonamide Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)N(C)CC2=CC3=C(C=C2)OCCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-20(2,3)21-30(26,27)15-6-7-16(17(12-15)23(24)25)22(4)13-14-5-8-18-19(11-14)29-10-9-28-18/h5-8,11-12,21H,9-10,13H2,1-4H3