7-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylic acid

Systemtic Name: 7-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylic acid Openeye Name: 7-(benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylic acid CAS Name: 7-(2-benzofuranyl)-1-(4-methoxyphenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylic acid IUPAC Name: 7-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylic acid Traditional Name: 7-(benzofuran-2-yl)-1-(4-methoxyphenyl)sulfonyl-5,6-dihydro-2H-azepine-7-carboxylic acid Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCCC2(C3=CC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC=CCCC2(C3=CC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C22H21NO6S/c1-28-17-9-11-18(12-10-17)30(26,27)23-14-6-2-5-13-22(23,21(24)25)20-15-16-7-3-4-8-19(16)29-20/h2-4,6-12,15H,5,13-14H2,1H3,(H,24,25)