3,5-bis(chloranyl)-4-methoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]benzamide Openeye Name: 3,5-dichloro-4-methoxy-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]benzamide Traditional Name: 3,5-dichloro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-4-methoxy-benzamide Formula: C17H17Cl2N3O6S MolecularWeight: 462.30438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H17Cl2N3O6S/c1-28-16-12(18)7-10(8-13(16)19)17(23)21-6-5-20-14-4-3-11(29(2,26)27)9-15(14)22(24)25/h3-4,7-9,20H,5-6H2,1-2H3,(H,21,23)