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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-phenoxy-benzamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-phenoxybenzamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-phenoxybenzamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-phenoxy-benzamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O6S/c1-32(29,30)19-11-12-20(21(15-19)25(27)28)23-13-14-24-22(26)16-7-9-18(10-8-16)31-17-5-3-2-4-6-17/h2-12,15,23H,13-14H2,1H3,(H,24,26)