N-[2-(2-chloranyl-4-nitro-phenyl)ethyl]-N-(pyridin-3-ylmethyl)hexane-1-sulfonamide

Systemtic Name: N-[2-(2-chloranyl-4-nitro-phenyl)ethyl]-N-(pyridin-3-ylmethyl)hexane-1-sulfonamide Openeye Name: N-[2-(2-chloro-4-nitro-phenyl)ethyl]-N-(3-pyridylmethyl)hexane-1-sulfonamide CAS Name: N-[2-(2-chloro-4-nitrophenyl)ethyl]-N-(3-pyridinylmethyl)-1-hexanesulfonamide IUPAC Name: N-[2-(2-chloro-4-nitrophenyl)ethyl]-N-(pyridin-3-ylmethyl)hexane-1-sulfonamide Traditional Name: N-[2-(2-chloro-4-nitro-phenyl)ethyl]-N-(3-pyridylmethyl)hexane-1-sulfonamide Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)N(CCC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC2=CN=CC=C2

Isomeric SMILES

CCCCCCS(=O)(=O)N(CCC1=C(C=C(C=C1)[N+](=O)[O-])Cl)CC2=CN=CC=C2

InChI

InChI=1S/C20H26ClN3O4S/c1-2-3-4-5-13-29(27,28)23(16-17-7-6-11-22-15-17)12-10-18-8-9-19(24(25)26)14-20(18)21/h6-9,11,14-15H,2-5,10,12-13,16H2,1H3