[3-(2-chloranyl-6-fluoranyl-phenyl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-6-ethyl-2-methyl-4-oxidanylidene-chromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-6-ethyl-2-methyl-4-oxo-chromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(2-chloro-6-fluorophenyl)-6-ethyl-2-methyl-4-oxochromen-7-yl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [3-(2-chloro-6-fluoro-phenyl)-6-ethyl-4-keto-2-methyl-chromen-7-yl] ester Formula: C31H29ClFNO6S MolecularWeight: 598.081463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=C(C=CC=C3Cl)F)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)C)C3=C(C=CC=C3Cl)F)OC(=O)C4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C31H29ClFNO6S/c1-3-20-17-23-27(39-19(2)28(30(23)35)29-24(32)9-8-10-25(29)33)18-26(20)40-31(36)21-11-13-22(14-12-21)41(37,38)34-15-6-4-5-7-16-34/h8-14,17-18H,3-7,15-16H2,1-2H3