(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide

Systemtic Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide Openeye Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide CAS Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-N-[3-(dimethylsulfamoyl)phenyl]propanamide IUPAC Name: (2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[3-(dimethylsulfamoyl)phenyl]propanamide Traditional Name: (2S)-2-(1,3-benzoxazol-2-ylthio)-N-[3-(dimethylsulfamoyl)phenyl]propionamide Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H19N3O4S2/c1-12(26-18-20-15-9-4-5-10-16(15)25-18)17(22)19-13-7-6-8-14(11-13)27(23,24)21(2)3/h4-12H,1-3H3,(H,19,22)/t12-/m0/s1