N-[4-(2-adamantyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanamide

Systemtic Name: N-[4-(2-adamantyl)phenyl]-2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]propanamide Openeye Name: N-[4-(2-adamantyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonyl-anilino)propanamide CAS Name: N-[4-(2-adamantyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide IUPAC Name: N-[4-(2-adamantyl)phenyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide Traditional Name: N-[4-(2-adamantyl)phenyl]-2-(N-mesyl-3,4-dimethyl-anilino)propionamide Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)C3C4CC5CC(C4)CC3C5)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(C(C)C(=O)NC2=CC=C(C=C2)C3C4CC5CC(C4)CC3C5)S(=O)(=O)C)C

InChI

InChI=1S/C28H36N2O3S/c1-17-5-10-26(11-18(17)2)30(34(4,32)33)19(3)28(31)29-25-8-6-22(7-9-25)27-23-13-20-12-21(15-23)16-24(27)14-20/h5-11,19-21,23-24,27H,12-16H2,1-4H3,(H,29,31)