ethyl 4-oxidanylidene-4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]butanoate Openeye Name: ethyl 4-oxo-4-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoate CAS Name: 4-oxo-4-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoate Traditional Name: 4-keto-4-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butyric acid ethyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCCCC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NCCCCC2

InChI

InChI=1S/C18H25N3O5S/c1-2-26-18(23)11-10-17(22)20-14-7-6-8-15(13-14)27(24,25)21-16-9-4-3-5-12-19-16/h6-8,13H,2-5,9-12H2,1H3,(H,19,21)(H,20,22)