2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[1-(4-methoxyphenyl)-3-methyl-butyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[1-(4-methoxyphenyl)-3-methyl-butyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[1-(4-methoxyphenyl)-3-methyl-butyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[1-(4-methoxyphenyl)-3-methylbutyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[1-(4-methoxyphenyl)-3-methyl-butyl]acetamide Formula: C31H42N2O4S MolecularWeight: 538.74118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O4S/c1-21(2)13-29(25-5-11-28(37-3)12-6-25)32-30(34)20-33(38(4,35)36)27-9-7-26(8-10-27)31-17-22-14-23(18-31)16-24(15-22)19-31/h5-12,21-24,29H,13-20H2,1-4H3,(H,32,34)