N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: (2-nitro-4-pyrrolidinosulfonyl-phenyl)-piperonyl-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)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

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