methyl 3-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 3-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(1-adamantyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 3-[[2-[4-(1-adamantyl)-N-mesyl-anilino]acetyl]amino]benzoic acid methyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CN(C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)S(=O)(=O)C

InChI

InChI=1S/C27H32N2O5S/c1-34-26(31)21-4-3-5-23(13-21)28-25(30)17-29(35(2,32)33)24-8-6-22(7-9-24)27-14-18-10-19(15-27)12-20(11-18)16-27/h3-9,13,18-20H,10-12,14-17H2,1-2H3,(H,28,30)