N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-5-bicyclo[2.2.1]hept-2-enecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]bicyclo[2.2.1]hept-2-ene-5-carboxamide Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CC3CC2C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2CC3CC2C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-26(24,25)13-4-5-15(16(10-13)20(22)23)18-6-7-19-17(21)14-9-11-2-3-12(14)8-11/h2-5,10-12,14,18H,6-9H2,1H3,(H,19,21)