4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]sulfamoylmethyl]benzoic acid

Systemtic Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]sulfamoylmethyl]benzoic acid Openeye Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]sulfamoylmethyl]benzoic acid CAS Name: 4-[[1-(5,5-dimethyl-1-cyclohexa-1,3-dienyl)-2-naphthalenyl]sulfamoylmethyl]benzoic acid IUPAC Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)naphthalen-2-yl]sulfamoylmethyl]benzoic acid Traditional Name: 4-[[1-(5,5-dimethylcyclohexa-1,3-dien-1-yl)-2-naphthyl]sulfamoylmethyl]benzoic acid Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)NS(=O)(=O)CC4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CC(=CC=C1)C2=C(C=CC3=CC=CC=C32)NS(=O)(=O)CC4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C26H25NO4S/c1-26(2)15-5-7-21(16-26)24-22-8-4-3-6-19(22)13-14-23(24)27-32(30,31)17-18-9-11-20(12-10-18)25(28)29/h3-15,27H,16-17H2,1-2H3,(H,28,29)