4-chloranyl-3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[2-methyl-5-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[2-methyl-5-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(2-methyl-5-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(2-methyl-5-piperidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C19H21ClN2O6S2 MolecularWeight: 472.96284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NS(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C19H21ClN2O6S2/c1-13-5-7-15(30(27,28)22-9-3-2-4-10-22)12-17(13)21-29(25,26)18-11-14(19(23)24)6-8-16(18)20/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)