methyl 2-[[4-(1-adamantyl)-2-methylsulfonyl-phenyl]amino]ethanoate

Systemtic Name: methyl 2-[[4-(1-adamantyl)-2-methylsulfonyl-phenyl]amino]ethanoate Openeye Name: methyl 2-[4-(1-adamantyl)-2-methylsulfonyl-anilino]acetate CAS Name: 2-[4-(1-adamantyl)-2-methylsulfonylanilino]acetic acid methyl ester IUPAC Name: methyl 2-[4-(1-adamantyl)-2-methylsulfonylanilino]acetate Traditional Name: 2-[4-(1-adamantyl)-2-mesyl-anilino]acetic acid methyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)CNC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

InChI

InChI=1S/C20H27NO4S/c1-25-19(22)12-21-17-4-3-16(8-18(17)26(2,23)24)20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3