4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-3-nitro-benzenesulfonamide Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c17-26(22,23)12-2-3-13(14(10-12)19(20)21)18-6-5-11-1-4-15-16(9-11)25-8-7-24-15/h1-4,9-10,18H,5-8H2,(H2,17,22,23)