2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C19H18N4O6S2 MolecularWeight: 462.49942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O6S2/c24-18(12-30-19-21-16-11-14(23(25)26)5-8-17(16)29-19)20-13-3-6-15(7-4-13)31(27,28)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,20,24)