2-ethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]hexanamide

Systemtic Name: 2-ethyl-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]hexanamide Openeye Name: 2-ethyl-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]hexanamide CAS Name: 2-ethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]hexanamide IUPAC Name: 2-ethyl-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]hexanamide Traditional Name: 2-ethyl-N-[2-(4-mesyl-2-nitro-anilino)ethyl]hexanamide Formula: C17H27N3O5S MolecularWeight: 385.47838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)C(=O)NCCNC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H27N3O5S/c1-4-6-7-13(5-2)17(21)19-11-10-18-15-9-8-14(26(3,24)25)12-16(15)20(22)23/h8-9,12-13,18H,4-7,10-11H2,1-3H3,(H,19,21)