2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[1-(4-tert-butylphenyl)ethyl]ethanamide

Systemtic Name: 2-[[4-(1-adamantyl)phenyl]-methylsulfonyl-amino]-N-[1-(4-tert-butylphenyl)ethyl]ethanamide Openeye Name: 2-[4-(1-adamantyl)-N-methylsulfonyl-anilino]-N-[1-(4-tert-butylphenyl)ethyl]acetamide CAS Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[1-(4-tert-butylphenyl)ethyl]acetamide IUPAC Name: 2-[4-(1-adamantyl)-N-methylsulfonylanilino]-N-[1-(4-tert-butylphenyl)ethyl]acetamide Traditional Name: 2-[4-(1-adamantyl)-N-mesyl-anilino]-N-[1-(4-tert-butylphenyl)ethyl]acetamide Formula: C31H42N2O3S MolecularWeight: 522.74178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H42N2O3S/c1-21(25-6-8-26(9-7-25)30(2,3)4)32-29(34)20-33(37(5,35)36)28-12-10-27(11-13-28)31-17-22-14-23(18-31)16-24(15-22)19-31/h6-13,21-24H,14-20H2,1-5H3,(H,32,34)