N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonyl-aniline Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-N-methyl-2-nitro-4-(1-piperidylsulfonyl)aniline CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitro-4-(1-piperidinylsulfonyl)aniline IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-nitro-4-piperidin-1-ylsulfonylaniline Traditional Name: (2-chloro-6-fluoro-benzyl)-methyl-(2-nitro-4-piperidinosulfonyl-phenyl)amine Formula: C19H21ClFN3O4S MolecularWeight: 441.904143

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=C(C=CC=C1Cl)F)C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H21ClFN3O4S/c1-22(13-15-16(20)6-5-7-17(15)21)18-9-8-14(12-19(18)24(25)26)29(27,28)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11,13H2,1H3