ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-4-oxo-butanoate CAS Name: 4-[5-(1-azepanylsulfonyl)-2-methoxyanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-4-oxobutanoate Traditional Name: 4-[5-(azepan-1-ylsulfonyl)-2-methoxy-anilino]-4-keto-butyric acid ethyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC

InChI

InChI=1S/C19H28N2O6S/c1-3-27-19(23)11-10-18(22)20-16-14-15(8-9-17(16)26-2)28(24,25)21-12-6-4-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22)