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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)F)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)F)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20FN3O4S/c1-20(13-14-5-4-6-15(19)11-14)17-8-7-16(22(23)24)12-18(17)27(25,26)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10,13H2,1H3