2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetic acid CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetic acid IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetic acid Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]acetic acid Formula: C19H25NO4S MolecularWeight: 363.4711

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CS(=O)(=O)N(CC(=O)O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25NO4S/c1-25(23,24)20(12-18(21)22)17-4-2-16(3-5-17)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3,(H,21,22)