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

Systemtic Name: 4-chloranyl-3-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[[4-methoxy-3-(1-piperidylsulfonyl)phenyl]sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]sulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(4-methoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid Traditional Name: 4-chloro-3-[(4-methoxy-3-piperidinosulfonyl-phenyl)sulfamoyl]benzoic acid Formula: C19H21ClN2O7S2 MolecularWeight: 488.96224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H21ClN2O7S2/c1-29-16-8-6-14(12-18(16)31(27,28)22-9-3-2-4-10-22)21-30(25,26)17-11-13(19(23)24)5-7-15(17)20/h5-8,11-12,21H,2-4,9-10H2,1H3,(H,23,24)