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

Systemtic Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxol-5-amine Openeye Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-1,3-benzodioxol-5-amine CAS Name: N-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-benzodioxol-5-amine IUPAC Name: N-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzodioxol-5-amine Traditional Name: 1,3-benzodioxol-5-yl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C17H17N3O6S MolecularWeight: 391.39838

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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)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c21-20(22)15-10-13(27(23,24)19-7-1-2-8-19)4-5-14(15)18-12-3-6-16-17(9-12)26-11-25-16/h3-6,9-10,18H,1-2,7-8,11H2