4-[[5,5-dimethyl-8-(phenylsulfonyl)-6H-naphthalen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[5,5-dimethyl-8-(phenylsulfonyl)-6H-naphthalen-2-yl]carbonylamino]benzoic acid Openeye Name: 4-[[8-(benzenesulfonyl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid CAS Name: 4-[[[8-(benzenesulfonyl)-5,5-dimethyl-6H-naphthalen-2-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[8-(benzenesulfonyl)-5,5-dimethyl-6H-naphthalene-2-carbonyl]amino]benzoic acid Traditional Name: 4-[(8-besyl-5,5-dimethyl-6H-naphthalene-2-carbonyl)amino]benzoic acid Formula: C26H23NO5S MolecularWeight: 461.52952

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC=C(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC=C(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=CC=C4)C

InChI

InChI=1S/C26H23NO5S/c1-26(2)15-14-23(33(31,32)20-6-4-3-5-7-20)21-16-18(10-13-22(21)26)24(28)27-19-11-8-17(9-12-19)25(29)30/h3-14,16H,15H2,1-2H3,(H,27,28)(H,29,30)