3-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]-4-methoxy-benzoic acid

Systemtic Name: 3-[(4-ethoxy-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]-4-methoxy-benzoic acid Openeye Name: 3-[[4-ethoxy-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]-4-methoxy-benzoic acid CAS Name: 3-[[4-ethoxy-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]-4-methoxybenzoic acid IUPAC Name: 3-[(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]-4-methoxybenzoic acid Traditional Name: 3-[(4-ethoxy-3-piperidinosulfonyl-phenyl)sulfamoyl]-4-methoxy-benzoic acid Formula: C21H26N2O8S2 MolecularWeight: 498.56974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H26N2O8S2/c1-3-31-18-10-8-16(14-20(18)33(28,29)23-11-5-4-6-12-23)22-32(26,27)19-13-15(21(24)25)7-9-17(19)30-2/h7-10,13-14,22H,3-6,11-12H2,1-2H3,(H,24,25)