2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-(3-phenethylsulfonylpropyl)propanamide

Systemtic Name: 2-azanyl-3-(2,6-dimethyl-4-oxidanyl-phenyl)-N-(3-phenethylsulfonylpropyl)propanamide Openeye Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(3-phenethylsulfonylpropyl)propanamide CAS Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(3-phenethylsulfonylpropyl)propanamide IUPAC Name: 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-(3-phenethylsulfonylpropyl)propanamide Traditional Name: 2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-(3-phenethylsulfonylpropyl)propionamide Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C(=O)NCCCS(=O)(=O)CCC2=CC=CC=C2)N)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C(=O)NCCCS(=O)(=O)CCC2=CC=CC=C2)N)C)O

InChI

InChI=1S/C22H30N2O4S/c1-16-13-19(25)14-17(2)20(16)15-21(23)22(26)24-10-6-11-29(27,28)12-9-18-7-4-3-5-8-18/h3-5,7-8,13-14,21,25H,6,9-12,15,23H2,1-2H3,(H,24,26)