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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-methoxyphenyl)-3-nitro-4-(piperonylamino)benzenesulfonamide Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7S/c1-29-16-5-3-15(4-6-16)23-32(27,28)17-7-8-18(19(11-17)24(25)26)22-12-14-2-9-20-21(10-14)31-13-30-20/h2-11,22-23H,12-13H2,1H3