2-methoxyethyl 4-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-26-14-15-27-19(23)11-10-18(22)20-16-6-8-17(9-7-16)28(24,25)21-12-4-2-3-5-13-21/h6-9H,2-5,10-15H2,1H3,(H,20,22)