N-[(2-chloranyl-5-nitro-phenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide

Systemtic Name: N-[(2-chloranyl-5-nitro-phenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide Openeye Name: N-[(2-chloro-5-nitro-phenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butanamide CAS Name: N-[(2-chloro-5-nitrophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide IUPAC Name: N-[(2-chloro-5-nitrophenyl)methyl]-4-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylbutanamide Traditional Name: N-(2-chloro-5-nitro-benzyl)-4-[(4-fluorophenyl)sulfonyl-methyl-amino]-N-methyl-butyramide Formula: C19H21ClFN3O5S MolecularWeight: 457.903543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClFN3O5S/c1-22(13-14-12-16(24(26)27)7-10-18(14)20)19(25)4-3-11-23(2)30(28,29)17-8-5-15(21)6-9-17/h5-10,12H,3-4,11,13H2,1-2H3