1-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine

Systemtic Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine Openeye Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine CAS Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]methanimine IUPAC Name: 1-(6-nitro-1,3-benzodioxol-5-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine Traditional Name: (6-nitro-1,3-benzodioxol-5-yl)methylene-(4-pyrrolidinosulfonylphenyl)amine Formula: C18H17N3O6S MolecularWeight: 403.40908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4

InChI

InChI=1S/C18H17N3O6S/c22-21(23)16-10-18-17(26-12-27-18)9-13(16)11-19-14-3-5-15(6-4-14)28(24,25)20-7-1-2-8-20/h3-6,9-11H,1-2,7-8,12H2