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

Systemtic Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Openeye Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide CAS Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide IUPAC Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(4-nitrophenyl)sulfonylamino]propanamide Traditional Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-(nosylamino)propionamide Formula: C12H13N5O5S2 MolecularWeight: 371.39212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N5O5S2/c1-8-15-16-12(23-8)14-11(18)6-7-13-24(21,22)10-4-2-9(3-5-10)17(19)20/h2-5,13H,6-7H2,1H3,(H,14,16,18)