N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1,2-dihydroacenaphthylene-5-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1,2-dihydroacenaphthylene-5-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]acenaphthene-5-carboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O5S/c1-31(29,30)16-8-10-19(20(13-16)25(27)28)23-11-12-24-22(26)18-9-7-15-6-5-14-3-2-4-17(18)21(14)15/h2-4,7-10,13,23H,5-6,11-12H2,1H3,(H,24,26)