methyl 3-(azepan-1-ylsulfonyl)-2-oxidanylidene-chromene-6-carboxylate

Systemtic Name: methyl 3-(azepan-1-ylsulfonyl)-2-oxidanylidene-chromene-6-carboxylate Openeye Name: methyl 3-(azepan-1-ylsulfonyl)-2-oxo-chromene-6-carboxylate CAS Name: 3-(1-azepanylsulfonyl)-2-oxo-1-benzopyran-6-carboxylic acid methyl ester IUPAC Name: methyl 3-(azepan-1-ylsulfonyl)-2-oxochromene-6-carboxylate Traditional Name: 3-(azepan-1-ylsulfonyl)-2-keto-chromene-6-carboxylic acid methyl ester Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)OC(=O)C(=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C17H19NO6S/c1-23-16(19)12-6-7-14-13(10-12)11-15(17(20)24-14)25(21,22)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3