2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-8-sulfo-dibenzofuran-3-carboxylic acid

Systemtic Name: 2-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-8-sulfo-dibenzofuran-3-carboxylic acid Openeye Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-8-sulfo-dibenzofuran-3-carboxylic acid CAS Name: 2-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-8-sulfo-3-dibenzofurancarboxylic acid IUPAC Name: 2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-8-sulfodibenzofuran-3-carboxylic acid Traditional Name: 2-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-8-sulfo-dibenzofuran-3-carboxylic acid Formula: C24H27NO7S MolecularWeight: 473.53868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=C(C=C3C(=C2)C4=C(O3)C=CC(=C4)S(=O)(=O)O)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=C(C=C3C(=C2)C4=C(O3)C=CC(=C4)S(=O)(=O)O)C(=O)O)C(C)C

InChI

InChI=1S/C24H27NO7S/c1-13(2)25(23(26)15-6-4-14(3)5-7-15)20-11-18-17-10-16(33(29,30)31)8-9-21(17)32-22(18)12-19(20)24(27)28/h8-15H,4-7H2,1-3H3,(H,27,28)(H,29,30,31)