3-[(4-nitrophenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide IUPAC Name: 3-[(4-nitrophenyl)sulfonylamino]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-3-(nosylamino)propionamide Formula: C16H21N5O5S2 MolecularWeight: 427.49844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O5S2/c1-2-3-4-5-15-19-20-16(27-15)18-14(22)10-11-17-28(25,26)13-8-6-12(7-9-13)21(23)24/h6-9,17H,2-5,10-11H2,1H3,(H,18,20,22)