2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C19H18N2O4S2 MolecularWeight: 402.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N2O4S2/c22-17(13-26-19-20-16-5-1-2-6-18(16)25-19)14-7-9-15(10-8-14)27(23,24)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2