2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]ethanamide Openeye Name: 2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide CAS Name: 2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]thio]-N-[(2S)-2-phenylbutyl]acetamide IUPAC Name: 2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]sulfanyl]-N-[(2S)-2-phenylbutyl]acetamide Traditional Name: 2-[[5-(dimethylsulfamoyl)-1,3-benzoxazol-2-yl]thio]-N-[(2S)-2-phenylbutyl]acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)CSC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N3O4S2/c1-4-15(16-8-6-5-7-9-16)13-22-20(25)14-29-21-23-18-12-17(10-11-19(18)28-21)30(26,27)24(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)/t15-/m1/s1