2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[(1S)-1-methylbutyl]acetamide Formula: C24H36N2O3S MolecularWeight: 432.61924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)CN(C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C

InChI

InChI=1S/C24H36N2O3S/c1-4-5-17(2)25-23(27)16-26(30(3,28)29)22-8-6-21(7-9-22)24-13-18-10-19(14-24)12-20(11-18)15-24/h6-9,17-20H,4-5,10-16H2,1-3H3,(H,25,27)/t17-,18?,19?,20?,24?/m0/s1