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

Systemtic Name: ethyl 4-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-(azepan-1-ylsulfonyl)anilino]-4-oxo-butanoate CAS Name: 4-[3-(1-azepanylsulfonyl)anilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate Traditional Name: 4-[3-(azepan-1-ylsulfonyl)anilino]-4-keto-butyric acid ethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-2-25-18(22)11-10-17(21)19-15-8-7-9-16(14-15)26(23,24)20-12-5-3-4-6-13-20/h7-9,14H,2-6,10-13H2,1H3,(H,19,21)