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

Systemtic Name: methyl 4-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoate Openeye Name: methyl 4-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoate CAS Name: 4-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoate Traditional Name: 4-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid methyl ester Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6S2/c1-29-20(24)15-6-10-17(11-7-15)30(25,26)22-16-8-12-18(13-9-16)31(27,28)23-19-5-3-2-4-14-21-19/h6-13,22H,2-5,14H2,1H3,(H,21,23)