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

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-4-phenyl-butanamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-4-phenyl-butanamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-phenylbutanamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-4-phenylbutanamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-phenyl-butyramide Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)CCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O5S/c1-28(26,27)16-10-11-17(18(14-16)22(24)25)20-12-13-21-19(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14,20H,5,8-9,12-13H2,1H3,(H,21,23)