N-[2-(3-fluorophenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: N-[2-(3-fluorophenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: N-[2-(3-fluorophenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: N-[2-(3-fluorophenyl)ethyl]-4-nitro-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: N-[2-(3-fluorophenyl)ethyl]-4-nitro-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: 2-(3-fluorophenyl)ethyl-(4-nitro-2-pyrrolidinosulfonyl-phenyl)amine Formula: C18H20FN3O4S MolecularWeight: 393.432503

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC(=CC=C3)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCC3=CC(=CC=C3)F

InChI

InChI=1S/C18H20FN3O4S/c19-15-5-3-4-14(12-15)8-9-20-17-7-6-16(22(23)24)13-18(17)27(25,26)21-10-1-2-11-21/h3-7,12-13,20H,1-2,8-11H2