[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: [2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl] 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: [2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl] 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid [2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H25NO6S/c1-16(2)20-11-7-8-17(3)23(20)25-22(26)14-30-24(27)21-13-12-18(31-21)15-32(28,29)19-9-5-4-6-10-19/h4-13,16H,14-15H2,1-3H3,(H,25,26)