4-[(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)sulfamoylmethyl]benzoic acid

Systemtic Name: 4-[(5,5-dimethyl-8-oxidanylidene-6,7-dihydronaphthalen-2-yl)sulfamoylmethyl]benzoic acid Openeye Name: 4-[(1,1-dimethyl-4-oxo-tetralin-6-yl)sulfamoylmethyl]benzoic acid CAS Name: 4-[(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)sulfamoylmethyl]benzoic acid IUPAC Name: 4-[(5,5-dimethyl-8-oxo-6,7-dihydronaphthalen-2-yl)sulfamoylmethyl]benzoic acid Traditional Name: 4-[(4-keto-1,1-dimethyl-tetralin-6-yl)sulfamoylmethyl]benzoic acid Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=CC(=C2)NS(=O)(=O)CC3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C20H21NO5S/c1-20(2)10-9-18(22)16-11-15(7-8-17(16)20)21-27(25,26)12-13-3-5-14(6-4-13)19(23)24/h3-8,11,21H,9-10,12H2,1-2H3,(H,23,24)