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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-tert-butyl-3-nitro-benzenesulfonamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-tert-butyl-3-nitro-benzenesulfonamide CAS Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-tert-butyl-3-nitrobenzenesulfonamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylamino)-N-tert-butyl-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-3-nitro-4-(piperonylamino)benzenesulfonamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O6S/c1-18(2,3)20-28(24,25)13-5-6-14(15(9-13)21(22)23)19-10-12-4-7-16-17(8-12)27-11-26-16/h4-9,19-20H,10-11H2,1-3H3