N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide

Systemtic Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide Openeye Name: N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]propanamide CAS Name: N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]propanamide IUPAC Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide Traditional Name: N-(5-nosylthiazol-2-yl)propionamide Formula: C12H11N3O5S2 MolecularWeight: 341.36284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=NC=C(S1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S2/c1-2-10(16)14-12-13-7-11(21-12)22(19,20)9-5-3-8(4-6-9)15(17)18/h3-7H,2H2,1H3,(H,13,14,16)