N-(5-nitro-1,3-thiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide

Systemtic Name: N-(5-nitro-1,3-thiazol-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(5-nitrothiazol-2-yl)propanamide CAS Name: N-(5-nitro-2-thiazolyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(5-nitro-1,3-thiazol-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(5-nitrothiazol-2-yl)propionamide Formula: C13H13N3O5S2 MolecularWeight: 355.38942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NC2=NC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S2/c17-11(15-13-14-8-12(22-13)16(18)19)6-7-23(20,21)9-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,14,15,17)