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

Systemtic Name: ethyl 2-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 2-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 2-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C28H34N2O5S MolecularWeight: 510.64496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C28H34N2O5S/c1-3-35-27(32)24-6-4-5-7-25(24)29-26(31)18-30(36(2,33)34)23-10-8-22(9-11-23)28-15-19-12-20(16-28)14-21(13-19)17-28/h4-11,19-21H,3,12-18H2,1-2H3,(H,29,31)