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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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