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

Systemtic Name: 3-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[4-chloro-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(4-chloro-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(4-chloro-3-piperidinosulfonyl-phenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C20H23ClN2O6S2/c1-13-10-15(20(24)25)11-18(14(13)2)30(26,27)22-16-6-7-17(21)19(12-16)31(28,29)23-8-4-3-5-9-23/h6-7,10-12,22H,3-5,8-9H2,1-2H3,(H,24,25)