4-methoxy-3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid

Systemtic Name: 4-methoxy-3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Openeye Name: 4-methoxy-3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-methoxy-3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-methoxy-3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Traditional Name: 4-methoxy-3-[[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]sulfamoyl]benzoic acid Formula: C20H23N3O7S2 MolecularWeight: 481.54252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NCCCCC3

InChI

InChI=1S/C20H23N3O7S2/c1-30-17-11-6-14(20(24)25)13-18(17)32(28,29)22-15-7-9-16(10-8-15)31(26,27)23-19-5-3-2-4-12-21-19/h6-11,13,22H,2-5,12H2,1H3,(H,21,23)(H,24,25)