(2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide

Systemtic Name: (2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Openeye Name: (2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-(p-tolylsulfonylamino)butanamide CAS Name: (2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide IUPAC Name: (2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanamide Traditional Name: (2S)-N-[4-(1-adamantyl)phenyl]-3-methyl-2-(tosylamino)butyramide Formula: C28H36N2O3S MolecularWeight: 480.66204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H36N2O3S/c1-18(2)26(30-34(32,33)25-10-4-19(3)5-11-25)27(31)29-24-8-6-23(7-9-24)28-15-20-12-21(16-28)14-22(13-20)17-28/h4-11,18,20-22,26,30H,12-17H2,1-3H3,(H,29,31)/t20?,21?,22?,26-,28?/m0/s1