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

Systemtic Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitro-benzenesulfonamide Openeye Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitro-benzenesulfonamide CAS Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitrobenzenesulfonamide IUPAC Name: 4-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-3-nitrobenzenesulfonamide Traditional Name: 4-[ethyl(piperonyl)amino]-3-nitro-benzenesulfonamide Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O6S/c1-2-18(9-11-3-6-15-16(7-11)25-10-24-15)13-5-4-12(26(17,22)23)8-14(13)19(20)21/h3-8H,2,9-10H2,1H3,(H2,17,22,23)