ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-4-oxo-butanoate CAS Name: 4-[3-(1-azepanylsulfonyl)-4-methylanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-4-oxobutanoate Traditional Name: 4-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-4-keto-butyric acid ethyl ester Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-3-26-19(23)11-10-18(22)20-16-9-8-15(2)17(14-16)27(24,25)21-12-6-4-5-7-13-21/h8-9,14H,3-7,10-13H2,1-2H3,(H,20,22)