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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-isopropyl-3-nitro-4-(piperonylamino)benzenesulfonamide Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O6S/c1-11(2)19-27(23,24)13-4-5-14(15(8-13)20(21)22)18-9-12-3-6-16-17(7-12)26-10-25-16/h3-8,11,18-19H,9-10H2,1-2H3