N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,3-benzodioxol-5-amine

Systemtic Name: N-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-1,3-benzodioxol-5-amine Openeye Name: N-[2-nitro-4-(1-piperidylsulfonyl)phenyl]-1,3-benzodioxol-5-amine CAS Name: N-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1,3-benzodioxol-5-amine IUPAC Name: N-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c22-21(23)16-11-14(28(24,25)20-8-2-1-3-9-20)5-6-15(16)19-13-4-7-17-18(10-13)27-12-26-17/h4-7,10-11,19H,1-3,8-9,12H2