N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(2-furanylmethylthio)ethyl]-2-nitro-4-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(2-furfurylthio)ethyl-(2-nitro-4-pyrrolidinosulfonyl-phenyl)amine Formula: C17H21N3O5S2 MolecularWeight: 411.49574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCSCC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)NCCSCC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S2/c21-20(22)17-12-15(27(23,24)19-8-1-2-9-19)5-6-16(17)18-7-11-26-13-14-4-3-10-25-14/h3-6,10,12,18H,1-2,7-9,11,13H2