ethyl 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoate

Systemtic Name: ethyl 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoate Openeye Name: ethyl 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid ethyl ester Formula: C21H25N3O6S2 MolecularWeight: 479.5697

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C21H25N3O6S2/c1-2-30-21(25)16-10-12-18(13-11-16)31(26,27)23-17-7-6-8-19(15-17)32(28,29)24-20-9-4-3-5-14-22-20/h6-8,10-13,15,23H,2-5,9,14H2,1H3,(H,22,24)