N-butyl-1-(3-chloranyl-4-nitro-phenyl)-N-(cyanomethyl)methanesulfonamide

Systemtic Name: N-butyl-1-(3-chloranyl-4-nitro-phenyl)-N-(cyanomethyl)methanesulfonamide Openeye Name: N-butyl-1-(3-chloro-4-nitro-phenyl)-N-(cyanomethyl)methanesulfonamide CAS Name: N-butyl-1-(3-chloro-4-nitrophenyl)-N-(cyanomethyl)methanesulfonamide IUPAC Name: N-butyl-1-(3-chloro-4-nitrophenyl)-N-(cyanomethyl)methanesulfonamide Traditional Name: N-butyl-1-(3-chloro-4-nitro-phenyl)-N-(cyanomethyl)methanesulfonamide Formula: C13H16ClN3O4S MolecularWeight: 345.80184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#N)S(=O)(=O)CC1=CC(=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCN(CC#N)S(=O)(=O)CC1=CC(=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O4S/c1-2-3-7-16(8-6-15)22(20,21)10-11-4-5-13(17(18)19)12(14)9-11/h4-5,9H,2-3,7-8,10H2,1H3