3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[5-(1-azepanylsulfonyl)-2-methoxyphenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C22H28N2O7S2 MolecularWeight: 496.59692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCCCC3)OC)C

InChI

InChI=1S/C22H28N2O7S2/c1-15-12-17(22(25)26)13-21(16(15)2)32(27,28)23-19-14-18(8-9-20(19)31-3)33(29,30)24-10-6-4-5-7-11-24/h8-9,12-14,23H,4-7,10-11H2,1-3H3,(H,25,26)