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

Systemtic Name: ethyl 4-oxidanylidene-4-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]amino]butanoate Openeye Name: ethyl 4-oxo-4-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoate CAS Name: 4-oxo-4-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)anilino]butanoate Traditional Name: 4-keto-4-[4-(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=C(C=C1)S(=O)(=O)NC2=NCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-2-26-18(23)12-11-17(22)20-14-7-9-15(10-8-14)27(24,25)21-16-6-4-3-5-13-19-16/h7-10H,2-6,11-13H2,1H3,(H,19,21)(H,20,22)