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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(nosylamino)propionamide Formula: C15H19N5O5S2 MolecularWeight: 413.47186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N5O5S2/c1-2-3-4-14-18-19-15(26-14)17-13(21)9-10-16-27(24,25)12-7-5-11(6-8-12)20(22)23/h5-8,16H,2-4,9-10H2,1H3,(H,17,19,21)