[2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-(1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-(benzofuran-2-yl)-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-(2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(1-benzofuran-2-yl)-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-(benzofuran-2-yl)-2-keto-ethyl] ester Formula: C23H23NO6S MolecularWeight: 441.49682

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H23NO6S/c25-20(22-15-18-7-3-4-8-21(18)30-22)16-29-23(26)17-9-11-19(12-10-17)31(27,28)24-13-5-1-2-6-14-24/h3-4,7-12,15H,1-2,5-6,13-14,16H2