4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-yl-5-sulfamoyl-phenyl)butan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-yl-5-sulfamoyl-phenyl)butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(1-piperidyl)-5-sulfamoyl-phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)-5-sulfamoylphenyl]butan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(2-piperidin-1-yl-5-sulfamoylphenyl)butan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-piperidino-5-sulfamoyl-phenyl)propyl]benzoic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)S(=O)(=O)N)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=C(C=CC(=C1)S(=O)(=O)N)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H27N3O5S/c1-14(20(21(23)26)15-5-7-16(8-6-15)22(27)28)18-13-17(31(24,29)30)9-10-19(18)25-11-3-2-4-12-25/h5-10,13-14,20H,2-4,11-12H2,1H3,(H2,23,26)(H,27,28)(H2,24,29,30)