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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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