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

Systemtic Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]butanamide Openeye Name: N-[5-(4-nitrophenyl)sulfonylthiazol-2-yl]butanamide CAS Name: N-[5-(4-nitrophenyl)sulfonyl-2-thiazolyl]butanamide IUPAC Name: N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]butanamide Traditional Name: N-(5-nosylthiazol-2-yl)butyramide Formula: C13H13N3O5S2 MolecularWeight: 355.38942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5S2/c1-2-3-11(17)15-13-14-8-12(22-13)23(20,21)10-6-4-9(5-7-10)16(18)19/h4-8H,2-3H2,1H3,(H,14,15,17)