[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate CAS Name: 3-(3,4-dimethylphenyl)-1-adamantanecarboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)adamantane-1-carboxylate Traditional Name: 3-(3,4-dimethylphenyl)adamantane-1-carboxylic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C28H32ClNO5S MolecularWeight: 530.07538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)S(=O)(=O)C)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC5=C(C=CC(=C5)S(=O)(=O)C)Cl)C

InChI

InChI=1S/C28H32ClNO5S/c1-17-4-5-21(8-18(17)2)27-11-19-9-20(12-27)14-28(13-19,16-27)26(32)35-15-25(31)30-24-10-22(36(3,33)34)6-7-23(24)29/h4-8,10,19-20H,9,11-16H2,1-3H3,(H,30,31)