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

Systemtic Name: ethyl 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoate Openeye Name: ethyl 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetate CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetate Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]acetic acid ethyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4S/c1-3-26-20(23)14-22(27(2,24)25)19-6-4-18(5-7-19)21-11-15-8-16(12-21)10-17(9-15)13-21/h4-7,15-17H,3,8-14H2,1-2H3