4-(1,3-benzodioxol-5-ylmethylamino)-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(piperonylamino)benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O6S/c1-3-20(4-2)28(24,25)14-6-7-15(16(10-14)21(22)23)19-11-13-5-8-17-18(9-13)27-12-26-17/h5-10,19H,3-4,11-12H2,1-2H3