ethyl 6-[bis(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-[bis(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-[bis(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)benzofuran-3-carboxylate CAS Name: 6-[bis(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-[bis(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylate Traditional Name: 5-cyclopropyl-6-(dimesylamino)-2-(4-fluorophenyl)benzofuran-3-carboxylic acid ethyl ester Formula: C22H22FNO7S2 MolecularWeight: 495.540983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(S(=O)(=O)C)S(=O)(=O)C)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)C3CC3)N(S(=O)(=O)C)S(=O)(=O)C)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FNO7S2/c1-4-30-22(25)20-17-11-16(13-5-6-13)18(24(32(2,26)27)33(3,28)29)12-19(17)31-21(20)14-7-9-15(23)10-8-14/h7-13H,4-6H2,1-3H3