4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[ethyl(piperonyl)amino]-3-nitro-benzenesulfonamide Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(CC)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N(CC)CC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O6S/c1-4-21(13-15-7-10-19-20(11-15)29-14-28-19)17-9-8-16(12-18(17)23(24)25)30(26,27)22(5-2)6-3/h7-12H,4-6,13-14H2,1-3H3