4-fluoranyl-3-(methoxymethyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-3-(methoxymethyl)-N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 4-fluoro-3-(methoxymethyl)-N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-3-(methoxymethyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 4-fluoro-3-(methoxymethyl)-N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 4-fluoro-N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-(methoxymethyl)benzothiophene-2-carboxamide Formula: C20H20FN3O6S2 MolecularWeight: 481.517703

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COCC1=C(SC2=CC=CC(=C21)F)C(=O)NCCNC3=C(C=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O6S2/c1-30-11-13-18-14(21)4-3-5-17(18)31-19(13)20(25)23-9-8-22-15-7-6-12(32(2,28)29)10-16(15)24(26)27/h3-7,10,22H,8-9,11H2,1-2H3,(H,23,25)