4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-benzenesulfonamide Openeye Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitro-benzenesulfonamide CAS Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[2-(1,3-benzodioxol-5-yl)ethylamino]-3-nitrobenzenesulfonamide Traditional Name: 4-(homopiperonylamino)-3-nitro-benzenesulfonamide Formula: C15H15N3O6S MolecularWeight: 365.3611

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H15N3O6S/c16-25(21,22)11-2-3-12(13(8-11)18(19)20)17-6-5-10-1-4-14-15(7-10)24-9-23-14/h1-4,7-8,17H,5-6,9H2,(H2,16,21,22)