2-[[(4-nitrophenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[(4-nitrophenyl)sulfonyl-propyl-amino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[(4-nitrophenyl)sulfonyl-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[[(4-nitrophenyl)sulfonyl-propylamino]methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[[(4-nitrophenyl)sulfonyl-propylamino]methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[nosyl(propyl)amino]methyl]-N-propyl-thiazole-4-carboxamide Formula: C17H22N4O5S2 MolecularWeight: 426.51038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CSC(=N1)CN(CCC)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O5S2/c1-3-9-18-17(22)15-12-27-16(19-15)11-20(10-4-2)28(25,26)14-7-5-13(6-8-14)21(23)24/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,22)