ethyl 1-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]isonipecotic acid ethyl ester Formula: C27H38N2O5S MolecularWeight: 502.66602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C27H38N2O5S/c1-3-34-26(31)22-8-10-28(11-9-22)25(30)18-29(35(2,32)33)24-6-4-23(5-7-24)27-15-19-12-20(16-27)14-21(13-19)17-27/h4-7,19-22H,3,8-18H2,1-2H3