N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-amine

Systemtic Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-amine Openeye Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-2,3-dihydro-1,4-benzodioxin-6-amine CAS Name: N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-amine IUPAC Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxin-6-amine Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCCO4)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c22-21(23)16-12-14(28(24,25)20-7-1-2-8-20)4-5-15(16)19-13-3-6-17-18(11-13)27-10-9-26-17/h3-6,11-12,19H,1-2,7-10H2