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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCCC3)F

InChI

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