2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-[(6-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-[(6-chloro-1,3-benzoxazol-2-yl)thio]-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C19H17ClN2O4S2 MolecularWeight: 436.93228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(O3)C=C(C=C4)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=C(O3)C=C(C=C4)Cl

InChI

InChI=1S/C19H17ClN2O4S2/c20-14-5-8-16-18(11-14)26-19(21-16)27-12-17(23)13-3-6-15(7-4-13)28(24,25)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2