3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]phenyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]sulfamoyl]-4-methoxy-benzoic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC)C

Isomeric SMILES

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC)C

InChI

InChI=1S/C21H26N2O7S2/c1-14-5-4-6-15(2)23(14)32(28,29)18-10-8-17(9-11-18)22-31(26,27)20-13-16(21(24)25)7-12-19(20)30-3/h7-15,22H,4-6H2,1-3H3,(H,24,25)