3-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 3-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)sulfamoyl]benzoic acid Openeye Name: 3-[[2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 3-[[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]sulfamoyl]benzoic acid IUPAC Name: 3-[(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)sulfamoyl]benzoic acid Traditional Name: 3-[(2-isopropoxy-5-piperidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C21H26N2O7S2 MolecularWeight: 482.57034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H26N2O7S2/c1-15(2)30-20-10-9-18(32(28,29)23-11-4-3-5-12-23)14-19(20)22-31(26,27)17-8-6-7-16(13-17)21(24)25/h6-10,13-15,22H,3-5,11-12H2,1-2H3,(H,24,25)