4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(2-dimethylaminoethyl)-3-nitrobenzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-(piperonylamino)benzenesulfonamide Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S/c1-21(2)8-7-20-29(25,26)14-4-5-15(16(10-14)22(23)24)19-11-13-3-6-17-18(9-13)28-12-27-17/h3-6,9-10,19-20H,7-8,11-12H2,1-2H3